2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid

C13H15NO4 — CID 168664089

IUPAC2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N2CC(CO)CC2=O)c1
InChIInChI=1S/C13H15NO4/c15-8-10-5-12(16)14(7-10)11-3-1-2-9(4-11)6-13(17)18/h1-4,10,15H,5-8H2,(H,17,18)
InChIKeyFCBPRPUVTACKCV-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.66
Rot. Bonds4

About 2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid

2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid (PubChem CID 168664089) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid
PubChem CID168664089
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid
SMILESO=C(O)Cc1cccc(N2CC(CO)CC2=O)c1
InChIInChI=1S/C13H15NO4/c15-8-10-5-12(16)14(7-10)11-3-1-2-9(4-11)6-13(17)18/h1-4,10,15H,5-8H2,(H,17,18)
InChIKeyFCBPRPUVTACKCV-UHFFFAOYSA-N
XLogP0.66
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-1-[3-(hydroxymethyl)phenyl]pyrrolidin-2-one
CID 168664094
2-[3-(4-ethynyl-2-oxopyrrolidin-1-yl)phenyl]acetic acid
CID 168502817
4-(hydroxymethyl)-1-(3-propan-2-yloxyphenyl)pyrrolidin-2-one
CID 168661998
4-(bromomethyl)-1-[3-(2-hydroxyethyl)phenyl]pyrrolidin-2-one
CID 168506138
4-(hydroxymethyl)-1-(4-phenylphenyl)pyrrolidin-2-one
CID 168663566
1-[3-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 82513214
1-(3,5-dihydroxyphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168664025
4-(hydroxymethyl)-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidin-2-one
CID 168662883
2-(3-chlorophenyl)-N-[(5-oxo-1-phenylpyrrolidin-3-yl)methyl]acetamide
CID 110737325
1-(2-bromo-4-pyridinyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168663955
1-(3-amino-4-methylphenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 168662678
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid?
The IUPAC name of 2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid (CID 168664089) is 2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid?
The canonical SMILES for 2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid is O=C(O)Cc1cccc(N2CC(CO)CC2=O)c1.
What is the InChIKey of 2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid?
The InChIKey is FCBPRPUVTACKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c15-8-10-5-12(16)14(7-10)11-3-1-2-9(4-11)6-13(17)18/h1-4,10,15H,5-8H2,(H,17,18).
What are the key properties of 2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid?
2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid has a molecular weight of 249.27 g/mol, XLogP of 0.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(hydroxymethyl)-2-oxopyrrolidin-1-yl]phenyl]acetic acid is sourced from PubChem (CID 168664089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).