(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide

C7H14N2O2 — CID 138857478

IUPAC(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide
SMILESCC[C@H](N)C(=O)N[C@@H](C)C=O
InChIInChI=1S/C7H14N2O2/c1-3-6(8)7(11)9-5(2)4-10/h4-6H,3,8H2,1-2H3,(H,9,11)/t5-,6-/m0/s1
InChIKeyODWHZYKWFFSCKH-WDSKDSINSA-N
MW158.20 g/mol
LogP-0.57
Rot. Bonds4

About (2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide

(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide (PubChem CID 138857478) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide
PubChem CID138857478
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide
SMILESCC[C@H](N)C(=O)N[C@@H](C)C=O
InChIInChI=1S/C7H14N2O2/c1-3-6(8)7(11)9-5(2)4-10/h4-6H,3,8H2,1-2H3,(H,9,11)/t5-,6-/m0/s1
InChIKeyODWHZYKWFFSCKH-WDSKDSINSA-N
XLogP-0.57
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide 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

2,3-diamino-N-[(2S)-1-oxo-1-[[(2S)-1-oxopropan-2-yl]amino]propan-2-yl]propanamide
CID 11949429
(2S)-2-amino-N-(3-ethylpentan-2-yl)butanamide
CID 79023204
2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide
CID 123738859
2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;molecular hydrogen
CID 145302166
2-amino-N-(1-amino-1-oxopropan-2-yl)butanamide
CID 43649626
(2R)-2-amino-N-[(2R)-1-aminopropan-2-yl]butanamide
CID 131206927
sodium;[3-amino-4-oxo-4-[[(2S)-1-oxopropan-2-yl]amino]butyl]-methylphosphinous acid;hydride
CID 174273902
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
(2R)-2-amino-N-(4-hydroxybutan-2-yl)butanamide
CID 83177321
3-(2-aminobutanoylamino)butanoic acid
CID 61159852
2-amino-3-methyl-N-(1-oxopropan-2-yl)butanamide;butane;ethane;molecular hydrogen;propane
CID 144975391
2-amino-N-(1,3-dihydroxypropan-2-yl)butanamide
CID 65314270

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide (CID 138857478) is (2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide is CC[C@H](N)C(=O)N[C@@H](C)C=O.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide?
The InChIKey is ODWHZYKWFFSCKH-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-6(8)7(11)9-5(2)4-10/h4-6H,3,8H2,1-2H3,(H,9,11)/t5-,6-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide?
(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide has a molecular weight of 158.20 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide is sourced from PubChem (CID 138857478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).