2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid

C11H13NO3 — CID 115103424

IUPAC2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2O)CCCN1
InChIInChI=1S/C11H13NO3/c13-9-5-2-1-4-8(9)11(10(14)15)6-3-7-12-11/h1-2,4-5,12-13H,3,6-7H2,(H,14,15)
InChIKeyXGWHGNMIIFFVHY-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.06
Rot. Bonds2

About 2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid

2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid (PubChem CID 115103424) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
PubChem CID115103424
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1(c2ccccc2O)CCCN1
InChIInChI=1S/C11H13NO3/c13-9-5-2-1-4-8(9)11(10(14)15)6-3-7-12-11/h1-2,4-5,12-13H,3,6-7H2,(H,14,15)
InChIKeyXGWHGNMIIFFVHY-UHFFFAOYSA-N
XLogP1.06
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(2-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 70486714
(2S)-2-(1H-indol-3-yl)pyrrolidine-2-carboxylic acid
CID 67713185
(2R)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 141351332
1-(2-phenylpyrrolidin-2-yl)ethanone
CID 91015511
(2R)-2-(furan-2-yl)pyrrolidine-2-carboxylic acid
CID 70544548
(2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid
CID 141351322
2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 70487750
(2R)-2-(cyclohexen-1-yl)pyrrolidine-2-carboxylic acid
CID 70543620
2-[2-(aminomethyl)pyrrolidin-2-yl]phenol
CID 115059279
2-benzoylpyrrolidine-2-carboxylic acid
CID 70416090
methyl 2-phenylazepane-2-carboxylate
CID 102027504
(2R)-2-benzhydrylpyrrolidine-2-carboxylic acid;hydrochloride
CID 2761924

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid (CID 115103424) is 2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid is O=C(O)C1(c2ccccc2O)CCCN1.
What is the InChIKey of 2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is XGWHGNMIIFFVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-9-5-2-1-4-8(9)11(10(14)15)6-3-7-12-11/h1-2,4-5,12-13H,3,6-7H2,(H,14,15).
What are the key properties of 2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid?
2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyphenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 115103424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).