1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

C14H16N2O4 — CID 114484309

IUPAC1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCc1cc(C(N)=O)ccc1CN1C(=O)CCC1C(=O)O
InChIInChI=1S/C14H16N2O4/c1-8-6-9(13(15)18)2-3-10(8)7-16-11(14(19)20)4-5-12(16)17/h2-3,6,11H,4-5,7H2,1H3,(H2,15,18)(H,19,20)
InChIKeyQNHLCFFTCYHPLZ-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.67
Rot. Bonds4

About 1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid

1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 114484309) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID114484309
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCc1cc(C(N)=O)ccc1CN1C(=O)CCC1C(=O)O
InChIInChI=1S/C14H16N2O4/c1-8-6-9(13(15)18)2-3-10(8)7-16-11(14(19)20)4-5-12(16)17/h2-3,6,11H,4-5,7H2,1H3,(H2,15,18)(H,19,20)
InChIKeyQNHLCFFTCYHPLZ-UHFFFAOYSA-N
XLogP0.67
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-carbamoyl-2-methylphenyl)methyl]azetidine-3-carboxylic acid
CID 114484630
1-[(2,4-dichlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 15923287
1-[(2-methylphenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812158
(2S)-1-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 10823634
(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
2-[1-[(4-carbamoyl-2-methylphenyl)methyl]azetidin-3-yl]acetic acid
CID 114484637
1-[(5-bromo-2-methoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 62874011
2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid
CID 134349522
1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354706
1-[(3,5-dimethyl-2-piperidin-4-yloxyphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 171108908
4-[(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methyl]-3-methylbenzamide
CID 114485293
(2R)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 59309467

Frequently Asked Questions

What is the IUPAC name of 1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid (CID 114484309) is 1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is Cc1cc(C(N)=O)ccc1CN1C(=O)CCC1C(=O)O.
What is the InChIKey of 1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is QNHLCFFTCYHPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-8-6-9(13(15)18)2-3-10(8)7-16-11(14(19)20)4-5-12(16)17/h2-3,6,11H,4-5,7H2,1H3,(H2,15,18)(H,19,20).
What are the key properties of 1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 276.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114484309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).