(2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one

C10H19N3O3 — CID 144964535

IUPAC(2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one
SMILESCNC(=O)[C@H](C)NC(C)=O.O=C1CCCN1
InChIInChI=1S/C6H12N2O2.C4H7NO/c1-4(6(10)7-3)8-5(2)9;6-4-2-1-3-5-4/h4H,1-3H3,(H,7,10)(H,8,9);1-3H2,(H,5,6)/t4-;/m0./s1
InChIKeyNYCBATCRAVFOSQ-WCCKRBBISA-N
MW229.28 g/mol
LogP-0.85
Rot. Bonds2

About (2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one

(2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one (PubChem CID 144964535) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is (2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one.

Molecular Properties

Compound Name(2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one
PubChem CID144964535
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name(2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one
SMILESCNC(=O)[C@H](C)NC(C)=O.O=C1CCCN1
InChIInChI=1S/C6H12N2O2.C4H7NO/c1-4(6(10)7-3)8-5(2)9;6-4-2-1-3-5-4/h4H,1-3H3,(H,7,10)(H,8,9);1-3H2,(H,5,6)/t4-;/m0./s1
InChIKeyNYCBATCRAVFOSQ-WCCKRBBISA-N
XLogP-0.85
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one?
The IUPAC name of (2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one (CID 144964535) is (2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one.
What is the SMILES notation for (2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one?
The canonical SMILES for (2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one is CNC(=O)[C@H](C)NC(C)=O.O=C1CCCN1.
What is the InChIKey of (2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one?
The InChIKey is NYCBATCRAVFOSQ-WCCKRBBISA-N. The full InChI is InChI=1S/C6H12N2O2.C4H7NO/c1-4(6(10)7-3)8-5(2)9;6-4-2-1-3-5-4/h4H,1-3H3,(H,7,10)(H,8,9);1-3H2,(H,5,6)/t4-;/m0./s1.
What are the key properties of (2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one?
(2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one has a molecular weight of 229.28 g/mol, XLogP of -0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-N-methylpropanamide;pyrrolidin-2-one is sourced from PubChem (CID 144964535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).