4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid

C15H19N3O4 — CID 122001533

IUPAC4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C15H19N3O4/c19-13(20)7-4-9-16-15(22)17-12-8-10-18(14(12)21)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,19,20)(H2,16,17,22)
InChIKeyQVCOMJWZVRNWCQ-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.96
Rot. Bonds6

About 4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid

4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid (PubChem CID 122001533) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid
PubChem CID122001533
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid
SMILESO=C(O)CCCNC(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C15H19N3O4/c19-13(20)7-4-9-16-15(22)17-12-8-10-18(14(12)21)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,19,20)(H2,16,17,22)
InChIKeyQVCOMJWZVRNWCQ-UHFFFAOYSA-N
XLogP0.96
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-oxo-1-phenylpiperidin-3-yl)carbamoylamino]propanoic acid
CID 122002288
3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 70083296
4-(methylamino)-N-(2-oxo-1-phenylpyrrolidin-3-yl)butanamide;hydrochloride
CID 119781166
3-[[1-(2-methoxyphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoic acid
CID 122006219
1-cyclopentyl-3-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]urea
CID 95051231
1-(2-oxo-1-phenylpyrrolidin-3-yl)-3-(thiophen-3-ylmethyl)urea
CID 71876955
1-[1-(3,5-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-phenylethyl)urea
CID 71838762
6-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 106258009
3-[[1-(2-fluorophenyl)-2-oxopiperidin-3-yl]carbamoylamino]propanoic acid
CID 122008222
3-(2-aminophenyl)-N-(2-oxo-1-phenylpyrrolidin-3-yl)propanamide
CID 120610637
3-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoylamino]propanoic acid
CID 106258155
ethyl 3-[[1-(4-methanehydrazonoylphenyl)-2-oxopyrrolidin-3-yl]carbamoylamino]propanoate
CID 70083317

Frequently Asked Questions

What is the IUPAC name of 4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid (CID 122001533) is 4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid is O=C(O)CCCNC(=O)NC1CCN(c2ccccc2)C1=O.
What is the InChIKey of 4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid?
The InChIKey is QVCOMJWZVRNWCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-13(20)7-4-9-16-15(22)17-12-8-10-18(14(12)21)11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,19,20)(H2,16,17,22).
What are the key properties of 4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid?
4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid has a molecular weight of 305.33 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 122001533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).