1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

C14H16N2O5 — CID 168691772

IUPAC1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(NCCO)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C14H16N2O5/c17-6-5-15-13(19)9-1-3-11(4-2-9)16-8-10(14(20)21)7-12(16)18/h1-4,10,17H,5-8H2,(H,15,19)(H,20,21)
InChIKeyXLSXTJCVHOTANT-UHFFFAOYSA-N
MW292.29 g/mol
LogP-0.15
Rot. Bonds5

About 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid

1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 168691772) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID168691772
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Name1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C(NCCO)c1ccc(N2CC(C(=O)O)CC2=O)cc1
InChIInChI=1S/C14H16N2O5/c17-6-5-15-13(19)9-1-3-11(4-2-9)16-8-10(14(20)21)7-12(16)18/h1-4,10,17H,5-8H2,(H,15,19)(H,20,21)
InChIKeyXLSXTJCVHOTANT-UHFFFAOYSA-N
XLogP-0.15
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-4-(2-oxo-4-sulfanylpyrrolidin-1-yl)benzamide
CID 168709975
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
1-(4-benzamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 22116008
N-(2-hydroxyethyl)-1-(4-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78845505
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7232453
N-(3-hydroxypropyl)-5-oxo-1-(4-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 108803695
5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylic acid
CID 50888665
N-[4-(heptylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 17153813
(3R)-N-[2-[(3,4-dimethoxybenzoyl)amino]ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 29128365
(3R)-N-[2-(furan-3-carbonylamino)ethyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 94612242
1-(4-formamidophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168654587

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid (CID 168691772) is 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is O=C(NCCO)c1ccc(N2CC(C(=O)O)CC2=O)cc1.
What is the InChIKey of 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is XLSXTJCVHOTANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c17-6-5-15-13(19)9-1-3-11(4-2-9)16-8-10(14(20)21)7-12(16)18/h1-4,10,17H,5-8H2,(H,15,19)(H,20,21).
What are the key properties of 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid?
1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 292.29 g/mol, XLogP of -0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 168691772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).