(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide

C13H17N3O2 — CID 119305747

IUPAC(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C13H17N3O2/c1-9(14)13(18)15-10-7-12(17)16(8-10)11-5-3-2-4-6-11/h2-6,9-10H,7-8,14H2,1H3,(H,15,18)/t9-,10?/m1/s1
InChIKeyHYQWHWKZGLHVOW-YHMJZVADSA-N
MW247.30 g/mol
LogP0.26
Rot. Bonds3

About (2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide

(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide (PubChem CID 119305747) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide
PubChem CID119305747
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide
SMILESC[C@@H](N)C(=O)NC1CC(=O)N(c2ccccc2)C1
InChIInChI=1S/C13H17N3O2/c1-9(14)13(18)15-10-7-12(17)16(8-10)11-5-3-2-4-6-11/h2-6,9-10H,7-8,14H2,1H3,(H,15,18)/t9-,10?/m1/s1
InChIKeyHYQWHWKZGLHVOW-YHMJZVADSA-N
XLogP0.26
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-dimethyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 18564044
1-(3-methylbutyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)urea
CID 43969243
N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]butanamide
CID 7546570
2-methyl-N-[2-[[N'-methyl-N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]ethyl]propanamide
CID 111913379
N-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]-3,3-diphenylpropanamide
CID 7546964
1-benzyl-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969205
1-(2-hydroxyethyl)-3-(5-oxo-1-phenylpyrrolidin-3-yl)-1-propan-2-ylurea
CID 43969233
1-cyclododecyl-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513394
5-oxo-N-(5-oxo-1-phenylpyrrolidin-3-yl)pyrrolidine-2-carboxamide
CID 110746041
benzyl N-(5-oxo-1-phenylpyrrolidin-3-yl)carbamate
CID 110736817
3,4-dimethyl-N-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]benzamide
CID 7546685
methyl 4-oxo-4-[(5-oxo-1-phenylpyrrolidin-3-yl)amino]butanoate
CID 110736807

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The IUPAC name of (2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide (CID 119305747) is (2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The canonical SMILES for (2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide is C[C@@H](N)C(=O)NC1CC(=O)N(c2ccccc2)C1.
What is the InChIKey of (2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide?
The InChIKey is HYQWHWKZGLHVOW-YHMJZVADSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(14)13(18)15-10-7-12(17)16(8-10)11-5-3-2-4-6-11/h2-6,9-10H,7-8,14H2,1H3,(H,15,18)/t9-,10?/m1/s1.
What are the key properties of (2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide?
(2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide has a molecular weight of 247.30 g/mol, XLogP of 0.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-(5-oxo-1-phenylpyrrolidin-3-yl)propanamide is sourced from PubChem (CID 119305747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).