4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid

C12H15NO3 — CID 117270170

IUPAC4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(Cc2cccc(O)c2)CN1
InChIInChI=1S/C12H15NO3/c14-10-3-1-2-8(5-10)4-9-6-11(12(15)16)13-7-9/h1-3,5,9,11,13-14H,4,6-7H2,(H,15,16)
InChIKeyFMYDBUATJPTKBT-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.00
Rot. Bonds3

About 4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid

4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 117270170) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID117270170
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(Cc2cccc(O)c2)CN1
InChIInChI=1S/C12H15NO3/c14-10-3-1-2-8(5-10)4-9-6-11(12(15)16)13-7-9/h1-3,5,9,11,13-14H,4,6-7H2,(H,15,16)
InChIKeyFMYDBUATJPTKBT-UHFFFAOYSA-N
XLogP1.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-[(3-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2762037
(2S)-4-[[3-(azetidine-1-carbonyl)phenyl]methyl]pyrrolidine-2-carboxylic acid
CID 175552088
4-[(3,4-difluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 53398259
4-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398298
(2S)-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxylic acid
CID 70546491
(2S)-4-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 77174815
4-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid;hydrochloride
CID 53398246
methyl 4-[(3-bromophenyl)methyl]pyrrolidine-2-carboxylate
CID 117270163
methyl 4-[(3-fluorophenyl)methyl]pyrrolidine-2-carboxylate
CID 117270161
(2R,4S)-4-[(4-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 133114737
(2S,4R)-4-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2761966
(2S,4R)-4-[(2-iodophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 2762040

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid (CID 117270170) is 4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CC(Cc2cccc(O)c2)CN1.
What is the InChIKey of 4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is FMYDBUATJPTKBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c14-10-3-1-2-8(5-10)4-9-6-11(12(15)16)13-7-9/h1-3,5,9,11,13-14H,4,6-7H2,(H,15,16).
What are the key properties of 4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid?
4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 117270170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).