4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid

C11H13NO3 — CID 53398348

IUPAC4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1c1cccc(O)c1
InChIInChI=1S/C11H13NO3/c13-8-3-1-2-7(4-8)9-5-12-6-10(9)11(14)15/h1-4,9-10,12-13H,5-6H2,(H,14,15)
InChIKeyPVSZHVAUFQAERY-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.78
Rot. Bonds2

About 4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid

4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 53398348) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID53398348
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CNCC1c1cccc(O)c1
InChIInChI=1S/C11H13NO3/c13-8-3-1-2-7(4-8)9-5-12-6-10(9)11(14)15/h1-4,9-10,12-13H,5-6H2,(H,14,15)
InChIKeyPVSZHVAUFQAERY-UHFFFAOYSA-N
XLogP0.78
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 ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-(3-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 2762108
methyl (3S,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylate
CID 129463071
(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762183
(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972006
(3R,4S)-4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;4-(3-bromophenyl)pyrrolidine-3-carboxylic acid
CID 68969877
(3R,4S)-4-(3-nitrophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972023
1-[(3R,4S)-3-(3-hydroxyphenyl)piperidin-4-yl]ethanone
CID 58977830
4-[3-(2,2-dimethylpropyl)phenyl]pyrrolidine-3-carboxylic acid
CID 134694800
(3R,4S)-4-thiophen-3-ylpyrrolidine-3-carboxylic acid
CID 56971991
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
4-(3,5-dichlorophenyl)pyrrolidine-3-carboxylic acid
CID 134162621

Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid (CID 53398348) is 4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CNCC1c1cccc(O)c1.
What is the InChIKey of 4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PVSZHVAUFQAERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c13-8-3-1-2-7(4-8)9-5-12-6-10(9)11(14)15/h1-4,9-10,12-13H,5-6H2,(H,14,15).
What are the key properties of 4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 53398348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).