(3R)-3-(methylamino)-4-oxobutanamide

C5H10N2O2 — CID 18634873

IUPAC(3R)-3-(methylamino)-4-oxobutanamide
SMILESCN[C@@H](C=O)CC(N)=O
InChIInChI=1S/C5H10N2O2/c1-7-4(3-8)2-5(6)9/h3-4,7H,2H2,1H3,(H2,6,9)/t4-/m1/s1
InChIKeyJNPKNFWWNDMTGE-SCSAIBSYSA-N
MW130.15 g/mol
LogP-1.35
Rot. Bonds4

About (3R)-3-(methylamino)-4-oxobutanamide

(3R)-3-(methylamino)-4-oxobutanamide (PubChem CID 18634873) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is (3R)-3-(methylamino)-4-oxobutanamide.

Molecular Properties

Compound Name(3R)-3-(methylamino)-4-oxobutanamide
PubChem CID18634873
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name(3R)-3-(methylamino)-4-oxobutanamide
SMILESCN[C@@H](C=O)CC(N)=O
InChIInChI=1S/C5H10N2O2/c1-7-4(3-8)2-5(6)9/h3-4,7H,2H2,1H3,(H2,6,9)/t4-/m1/s1
InChIKeyJNPKNFWWNDMTGE-SCSAIBSYSA-N
XLogP-1.35
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(methylamino)-4-oxobutanamide?
The IUPAC name of (3R)-3-(methylamino)-4-oxobutanamide (CID 18634873) is (3R)-3-(methylamino)-4-oxobutanamide.
What is the SMILES notation for (3R)-3-(methylamino)-4-oxobutanamide?
The canonical SMILES for (3R)-3-(methylamino)-4-oxobutanamide is CN[C@@H](C=O)CC(N)=O.
What is the InChIKey of (3R)-3-(methylamino)-4-oxobutanamide?
The InChIKey is JNPKNFWWNDMTGE-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-7-4(3-8)2-5(6)9/h3-4,7H,2H2,1H3,(H2,6,9)/t4-/m1/s1.
What are the key properties of (3R)-3-(methylamino)-4-oxobutanamide?
(3R)-3-(methylamino)-4-oxobutanamide has a molecular weight of 130.15 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(methylamino)-4-oxobutanamide is sourced from PubChem (CID 18634873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).