1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid

C12H12N2O4 — CID 168654587

IUPAC1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=CNc1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C12H12N2O4/c15-7-13-9-1-3-10(4-2-9)14-6-8(12(17)18)5-11(14)16/h1-4,7-8H,5-6H2,(H,13,15)(H,17,18)
InChIKeyAHWBUXDHSBMPQX-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.69
Rot. Bonds4

About 1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid

1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168654587) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168654587
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESO=CNc1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C12H12N2O4/c15-7-13-9-1-3-10(4-2-9)14-6-8(12(17)18)5-11(14)16/h1-4,7-8H,5-6H2,(H,13,15)(H,17,18)
InChIKeyAHWBUXDHSBMPQX-UHFFFAOYSA-N
XLogP0.69
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.69
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

1-[4-(methanesulfonamido)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690935
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 22116008
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
5-oxo-1-(4-phenyldiazenylphenyl)pyrrolidine-3-carboxylic acid
CID 168691777
(3R)-1-(4-nitrophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7144527
5-oxo-1-[4-(trifluoromethylsulfanyl)phenyl]pyrrolidine-3-carboxylic acid
CID 168691782
1-[4-(4-aminophenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691781
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169
1-[4-(4-methoxyphenoxy)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 46779179
5-oxo-1-phenyl-N-(4-piperidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 46422723

Frequently Asked Questions

What is the IUPAC name of 1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 168654587) is 1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid is O=CNc1ccc(N2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is AHWBUXDHSBMPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c15-7-13-9-1-3-10(4-2-9)14-6-8(12(17)18)5-11(14)16/h1-4,7-8H,5-6H2,(H,13,15)(H,17,18).
What are the key properties of 1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid?
1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 248.24 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168654587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).