3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

C12H13NO4 — CID 84727075

IUPAC3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C1CC(Cc2ccccc2O)(C(=O)O)CN1
InChIInChI=1S/C12H13NO4/c14-9-4-2-1-3-8(9)5-12(11(16)17)6-10(15)13-7-12/h1-4,14H,5-7H2,(H,13,15)(H,16,17)
InChIKeyGSXBCZJSJOIMAJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.53
Rot. Bonds3

About 3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid

3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 84727075) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
PubChem CID84727075
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid
SMILESO=C1CC(Cc2ccccc2O)(C(=O)O)CN1
InChIInChI=1S/C12H13NO4/c14-9-4-2-1-3-8(9)5-12(11(16)17)6-10(15)13-7-12/h1-4,14H,5-7H2,(H,13,15)(H,16,17)
InChIKeyGSXBCZJSJOIMAJ-UHFFFAOYSA-N
XLogP0.53
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclobutylmethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 84720895
4,4-dibenzylpyrrolidin-2-one
CID 66107814
ethane;1-[1-[(2-hydroxyphenyl)methyl]cyclohexyl]ethanone
CID 144506588
(2S)-2-benzyl-4-oxoazetidine-2-carboxylic acid
CID 10536224
3-amino-5-oxopyrrolidine-3-carboxylic acid
CID 162691228
1-benzylcyclopropane-1-carboxylic acid
CID 562561
azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
1-(1,3-benzodioxol-4-ylmethyl)cyclopropane-1-carboxylic acid
CID 83822299
4-benzylpiperidine-4-carboxylic acid
CID 18365178
1-[[[2-(2-hydroxyphenyl)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115432866
3-ethyl-6-oxopiperidine-3-carboxylic acid
CID 83529536
1-[[2-(furan-2-yl)phenyl]methyl]cyclopropane-1-carboxylic acid
CID 167810738

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid (CID 84727075) is 3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is O=C1CC(Cc2ccccc2O)(C(=O)O)CN1.
What is the InChIKey of 3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is GSXBCZJSJOIMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-9-4-2-1-3-8(9)5-12(11(16)17)6-10(15)13-7-12/h1-4,14H,5-7H2,(H,13,15)(H,16,17).
What are the key properties of 3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid?
3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 0.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxyphenyl)methyl]-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 84727075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).