2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid

C14H14N2O5 — CID 134349522

IUPAC2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid
SMILESNC(=O)c1cccc(CN2C(=O)CCC2C(=O)C(=O)O)c1
InChIInChI=1S/C14H14N2O5/c15-13(19)9-3-1-2-8(6-9)7-16-10(4-5-11(16)17)12(18)14(20)21/h1-3,6,10H,4-5,7H2,(H2,15,19)(H,20,21)
InChIKeyGIUVIONYQASVHN-UHFFFAOYSA-N
MW290.27 g/mol
LogP-0.07
Rot. Bonds5

About 2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid

2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid (PubChem CID 134349522) has the molecular formula C14H14N2O5 and a molecular weight of 290.27 g/mol. Its IUPAC name is 2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid
PubChem CID134349522
Molecular FormulaC14H14N2O5
Molecular Weight290.27 g/mol
Exact Mass290.09
IUPAC Name2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid
SMILESNC(=O)c1cccc(CN2C(=O)CCC2C(=O)C(=O)O)c1
InChIInChI=1S/C14H14N2O5/c15-13(19)9-3-1-2-8(6-9)7-16-10(4-5-11(16)17)12(18)14(20)21/h1-3,6,10H,4-5,7H2,(H2,15,19)(H,20,21)
InChIKeyGIUVIONYQASVHN-UHFFFAOYSA-N
XLogP-0.07
TPSA117.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-methyl-2-oxoacetamide
CID 139335095
1-(naphthalen-2-ylmethyl)-5-oxopyrrolidine-2-carboxylic acid
CID 67094985
1-[(4-carbamoyl-2-methylphenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 114484309
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-cyclopropyl-2-oxoacetamide
CID 139335074
N-(3-carbamoylphenyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955626
2-(1-benzyl-5-oxopyrrolidin-2-yl)-N-(cyclopropylmethyl)-2-oxoacetamide
CID 134349862
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-ethyl-2-oxoacetamide
CID 139335049
1-[(3-chlorophenyl)methyl]-6-oxopiperidine-2-carboxylic acid
CID 91812161
2-[(2R)-1-benzyl-5-oxopyrrolidin-2-yl]-N-cyclobutyl-2-oxoacetamide
CID 134349466
(2S)-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 10560862
Se-phenyl 1-benzyl-5-oxopyrrolidine-2-carboselenoate
CID 15337768
1-[(3-carbamoylphenyl)methyl]-4-methylpiperidine-2-carboxylic acid
CID 114426422

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid?
The IUPAC name of 2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid (CID 134349522) is 2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid.
What is the SMILES notation for 2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid?
The canonical SMILES for 2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid is NC(=O)c1cccc(CN2C(=O)CCC2C(=O)C(=O)O)c1.
What is the InChIKey of 2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid?
The InChIKey is GIUVIONYQASVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O5/c15-13(19)9-3-1-2-8(6-9)7-16-10(4-5-11(16)17)12(18)14(20)21/h1-3,6,10H,4-5,7H2,(H2,15,19)(H,20,21).
What are the key properties of 2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid?
2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid has a molecular weight of 290.27 g/mol, XLogP of -0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-carbamoylphenyl)methyl]-5-oxopyrrolidin-2-yl]-2-oxoacetic acid is sourced from PubChem (CID 134349522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).