(3S)-3-amino-N-methyl-4-oxobutanamide

C5H10N2O2 — CID 57098200

IUPAC(3S)-3-amino-N-methyl-4-oxobutanamide
SMILESCNC(=O)C[C@H](N)C=O
InChIInChI=1S/C5H10N2O2/c1-7-5(9)2-4(6)3-8/h3-4H,2,6H2,1H3,(H,7,9)/t4-/m0/s1
InChIKeyLUEQTHZQSPXAJI-BYPYZUCNSA-N
MW130.15 g/mol
LogP-1.35
Rot. Bonds3

About (3S)-3-amino-N-methyl-4-oxobutanamide

(3S)-3-amino-N-methyl-4-oxobutanamide (PubChem CID 57098200) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (3S)-3-amino-N-methyl-4-oxobutanamide.

Molecular Properties

Compound Name(3S)-3-amino-N-methyl-4-oxobutanamide
PubChem CID57098200
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(3S)-3-amino-N-methyl-4-oxobutanamide
SMILESCNC(=O)C[C@H](N)C=O
InChIInChI=1S/C5H10N2O2/c1-7-5(9)2-4(6)3-8/h3-4H,2,6H2,1H3,(H,7,9)/t4-/m0/s1
InChIKeyLUEQTHZQSPXAJI-BYPYZUCNSA-N
XLogP-1.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-amino-N-methylbutanamide;hydrochloride
CID 87931451
(2R)-2-amino-4-(methylamino)-4-oxobutanoic acid;hydrochloride
CID 141227673
sodium;(3S)-3-amino-4-oxobutanoic acid;hydride
CID 175446278
N,3-dimethyl-4-oxobutanamide;ethane;2,2,3-trimethylbutane
CID 145078832
(3R)-3-amino-4-oxobutanamide;ethene;methane
CID 158060763
(2S,3S,4R,5S)-6-[[(3R)-3-amino-4-oxobutanoyl]amino]-2,3,4,5-tetrahydroxyhexanoic acid
CID 134489592
(Z)-2-amino-4-(ethylideneamino)hex-4-enal
CID 164530588
N-methyl-4-oxo-3-sulfanylpentanamide
CID 130374131
(3S)-N-methyl-3-methylsulfanylbutanamide
CID 58528328
2-amino-4-(methylamino)-4-oxobutanoic acid;(2S)-2,5-diamino-5-oxopentanoic acid
CID 87491412
4-amino-N,5-dimethylhexanamide
CID 102537827
(3R)-3-acetamido-N-methylbutanamide
CID 87931486

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-N-methyl-4-oxobutanamide?
The IUPAC name of (3S)-3-amino-N-methyl-4-oxobutanamide (CID 57098200) is (3S)-3-amino-N-methyl-4-oxobutanamide.
What is the SMILES notation for (3S)-3-amino-N-methyl-4-oxobutanamide?
The canonical SMILES for (3S)-3-amino-N-methyl-4-oxobutanamide is CNC(=O)C[C@H](N)C=O.
What is the InChIKey of (3S)-3-amino-N-methyl-4-oxobutanamide?
The InChIKey is LUEQTHZQSPXAJI-BYPYZUCNSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-7-5(9)2-4(6)3-8/h3-4H,2,6H2,1H3,(H,7,9)/t4-/m0/s1.
What are the key properties of (3S)-3-amino-N-methyl-4-oxobutanamide?
(3S)-3-amino-N-methyl-4-oxobutanamide has a molecular weight of 130.15 g/mol, XLogP of -1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-N-methyl-4-oxobutanamide is sourced from PubChem (CID 57098200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).