(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide

C7H14N2O2 — CID 123756071

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

About (2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide

(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide (PubChem CID 123756071) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide
PubChem CID123756071
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide
SMILESCC[C@@H](C=O)NC(=O)[C@H](C)N
InChIInChI=1S/C7H14N2O2/c1-3-6(4-10)9-7(11)5(2)8/h4-6H,3,8H2,1-2H3,(H,9,11)/t5-,6-/m0/s1
InChIKeyVTEGXINYJFAKDN-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'}

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Related Compounds

2-amino-N-(4-methyl-1-oxopentan-2-yl)propanamide
CID 22169553
(2S)-2-amino-N-[(2S,3S)-3-methyl-1-oxopentan-2-yl]propanamide
CID 22819051
(2S)-2-amino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]propanamide
CID 154573898
N-[(2S)-1-oxobutan-2-yl]acetamide
CID 55299338
(2S)-2-amino-N-pentan-3-ylpropanamide
CID 14333664
2-amino-N-[(2S)-1-oxo-3-sulfanylpropan-2-yl]butanamide
CID 123738859
(E)-4-(2-aminopropanoylamino)-6-methylhept-2-enoic acid
CID 5364156
(2R)-2-amino-4-methyl-N-[(2S)-4-methyl-1-oxopentan-2-yl]pentanamide
CID 175421037
(2S)-2-amino-N-[(2S)-1-hydroxy-3-oxopropan-2-yl]-3-methylbutanamide
CID 56637055
2-amino-4-methyl-N-(1-oxopentan-2-yl)pentanamide
CID 19826425
(2S)-2-amino-N-[(2S)-1-oxopropan-2-yl]butanamide
CID 138857478
methyl 2-[[(2S)-2-aminopropanoyl]amino]-3-methylpentanoate
CID 61146510

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide?
The IUPAC name of (2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide (CID 123756071) is (2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide.
What is the SMILES notation for (2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide?
The canonical SMILES for (2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide is CC[C@@H](C=O)NC(=O)[C@H](C)N.
What is the InChIKey of (2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide?
The InChIKey is VTEGXINYJFAKDN-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-3-6(4-10)9-7(11)5(2)8/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-oxobutan-2-yl]propanamide?
(2S)-2-amino-N-[(2S)-1-oxobutan-2-yl]propanamide 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-oxobutan-2-yl]propanamide is sourced from PubChem (CID 123756071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).