(2S)-2-acetamido-2-methylbutanoic acid

C7H13NO3 — CID 71355971

IUPAC(2S)-2-acetamido-2-methylbutanoic acid
SMILESCC[C@](C)(NC(C)=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-4-7(3,6(10)11)8-5(2)9/h4H2,1-3H3,(H,8,9)(H,10,11)/t7-/m0/s1
InChIKeyFXMPYFPNHXKCBH-ZETCQYMHSA-N
MW159.18 g/mol
LogP0.38
Rot. Bonds3

About (2S)-2-acetamido-2-methylbutanoic acid

(2S)-2-acetamido-2-methylbutanoic acid (PubChem CID 71355971) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is (2S)-2-acetamido-2-methylbutanoic acid.

Molecular Properties

Compound Name(2S)-2-acetamido-2-methylbutanoic acid
PubChem CID71355971
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name(2S)-2-acetamido-2-methylbutanoic acid
SMILESCC[C@](C)(NC(C)=O)C(=O)O
InChIInChI=1S/C7H13NO3/c1-4-7(3,6(10)11)8-5(2)9/h4H2,1-3H3,(H,8,9)(H,10,11)/t7-/m0/s1
InChIKeyFXMPYFPNHXKCBH-ZETCQYMHSA-N
XLogP0.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-acetamido-2-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-acetamido-2,4-dimethylpentanoic acid
CID 22858890
2-(methoxycarbonylamino)-2-methylbutanoic acid
CID 79792133
2-acetamido-N,2-dimethylbutanamide
CID 71329562
(2R)-2-(4,4-dimethylpentanoylamino)-2-methylbutanoic acid
CID 97233847
2-(carbamothioylamino)-2-methylbutanoic acid
CID 88920179
(2S)-2-acetamido-3-acetyloxy-2-methylpropanoic acid
CID 102238422
2-[[2-(butanoylamino)acetyl]amino]-2-methylbutanoic acid
CID 119199520
2-[(2-methoxy-2-methylpropanoyl)amino]-2-methylbutanoic acid
CID 103018984
2-[[ethyl(2-methylprop-2-enyl)carbamoyl]amino]-2-methylbutanoic acid
CID 79799061
2-[3-(2,2-dimethylpropanoylamino)propanoylamino]-2-methylbutanoic acid
CID 79792553
2-methyl-2-(pentan-2-ylcarbamoylamino)butanoic acid
CID 79798870
2-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylbutanoic acid
CID 79799154

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-2-methylbutanoic acid?
The IUPAC name of (2S)-2-acetamido-2-methylbutanoic acid (CID 71355971) is (2S)-2-acetamido-2-methylbutanoic acid.
What is the SMILES notation for (2S)-2-acetamido-2-methylbutanoic acid?
The canonical SMILES for (2S)-2-acetamido-2-methylbutanoic acid is CC[C@](C)(NC(C)=O)C(=O)O.
What is the InChIKey of (2S)-2-acetamido-2-methylbutanoic acid?
The InChIKey is FXMPYFPNHXKCBH-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H13NO3/c1-4-7(3,6(10)11)8-5(2)9/h4H2,1-3H3,(H,8,9)(H,10,11)/t7-/m0/s1.
What are the key properties of (2S)-2-acetamido-2-methylbutanoic acid?
(2S)-2-acetamido-2-methylbutanoic acid has a molecular weight of 159.18 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-2-methylbutanoic acid is sourced from PubChem (CID 71355971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).