3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid

C13H14N2O4 — CID 14140660

IUPAC3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C13H14N2O4/c1-13(11(17)18)7-8-15(10(13)16)12(19)14-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyMBJXALOHALHRRK-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.54
Rot. Bonds2

About 3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid

3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid (PubChem CID 14140660) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid
PubChem CID14140660
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid
SMILESCC1(C(=O)O)CCN(C(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C13H14N2O4/c1-13(11(17)18)7-8-15(10(13)16)12(19)14-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,19)(H,17,18)
InChIKeyMBJXALOHALHRRK-UHFFFAOYSA-N
XLogP1.54
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4,4-dimethyl-N-phenylpiperidine-1-carboxamide
CID 110749467
3,3-dimethyl-1-N,2-N-diphenyldiaziridine-1,2-dicarboxamide
CID 2831867
3,3-dimethyl-N-(6-methyl-2-pyridinyl)-2-oxopyrrolidine-1-carboxamide
CID 174197870
2,2-dimethyl-3-oxo-N-phenylpiperazine-1-carboxamide
CID 53017589
N-(3-chlorophenyl)-4-hydroxy-4-methyl-2,3-dihydroquinoline-1-carboxamide
CID 110746972
3-methyl-1-[[4-(phenylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078258
N,3-diphenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazol-4-ium-7-carboxamide
CID 10947204
3-hydroxy-2,2-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269224
3-cyano-2-oxo-N-phenylpyrrolidine-1-carboxamide
CID 121015645
4-amino-3,3-dimethyl-N-phenylpiperidine-1-carboxamide
CID 115269781
3-oxo-N-phenylpyrazolidine-1-carboxamide
CID 1482220
(3S)-3-methyl-N-phenylpiperazine-1-carboxamide;hydrochloride
CID 166001504

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid (CID 14140660) is 3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid is CC1(C(=O)O)CCN(C(=O)Nc2ccccc2)C1=O.
What is the InChIKey of 3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid?
The InChIKey is MBJXALOHALHRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-13(11(17)18)7-8-15(10(13)16)12(19)14-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H,14,19)(H,17,18).
What are the key properties of 3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid?
3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-1-(phenylcarbamoyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 14140660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).