N-Acetyl-L-valine

CAS 96-81-1  ·  C7H13NO3  ·  MW 159.18 g/mol

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3D model N-Acetyl-L-valine, CAS 96-81-1, molecular formula C7H13NO3, molar mass 159.18 g/mol
About N-Acetyl-L-valine

N-Acetyl-L-valine is a chemical compound registered under number CAS 96-81-1, with the molecular formula C7H13NO3, and a molar mass of 159.18 g/mol.

The molecule contains 24 atoms connected by 23 chemical bonds. The full systematic IUPAC name of this compound is (2S)-2-acetamido-3-methylbutanoic acid. The interactive 3D model above lets you view the spatial arrangement of the atoms — you can rotate it with the mouse, zoom with the scroll wheel, and switch between skeletal / Ball & Stick / Space Fill visualization modes.

In terms of physicochemical properties, the partition coefficient logP = 0 (negative value, a hydrophilic compound), polar surface area PSA = 66.4 Ų, 2 donors and 3 hydrogen bond acceptors. These parameters are key when assessing bioavailability and interaction with biomolecules.

Chemical data for this compound comes from PubChem (NIH NLM NCBI), one of the world's largest chemical databases. All information is updated automatically and enriched with GHS hazard statement translations compliant with the CLP Regulation (EC 1272/2008). The widget above may be used for educational, research and commercial purposes.

Physicochemical properties
Molecular formulaC7H13NO3
Masa molowa159.18 g/mol
IUPAC(2S)-2-acetamido-3-methylbutanoic acid
SMILESCC(C)[C@@H](C(=O)O)NC(=O)C
InChIKeyIHYJTAOFMMMOPX-LURJTMIESA-N
logP (XLogP3)0
PSA66.4 Ų
HBD / HBA2 / 3
PubChem CIDCID 66789 ↗
Scientific literature

Related literature

1 articles · 0 open access · Sources: PubMed, OpenAlex, Semantic Scholar

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Dane z PubMed (NIH NLM), OpenAlex (CC0), Semantic Scholar (AI2). AI Summary wygenerowane przez Semantic Scholar TLDR. Artykuły z ikoną wymagają płatnego dostępu.

Synonyms
N-Acetyl-L-valine · 96-81-1 · Ac-Val-OH · Acetyl-L-Valine · Acetylvaline · L-Valine, N-acetyl- · (2S)-2-acetamido-3-methylbutanoic acid · (S)-2-Acetamido-3-methylbutanoic acid · Valine, N-acetyl- · MFCD00066066 · N-Acetyl Valine · Valine, N-acetyl-, L- · Ac-L-Val-OH · n-acetyl-Valine · AC-VAL
Data sources
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📜 License & provenanceMolGod_License_1
Model
N-Acetyl-L-valine · 96-81-1
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CC BY 4.0 International (source rights undetermined — not yet granted)
Attribution
MolGod Scientific
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N-Acetyl-L-valine →
Source data
PubChem CID 66789 ↗
SHA-256 (STL)
d7dffa0dbab93526f3dbf035f80c81e7d22de2f548fd8bf8de6d913f69cdb6a2
Wikimedia Commons
not published yet
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