4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid

C12H15NO3 — CID 117270263

IUPAC4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CC(c2ccccc2O)CN1
InChIInChI=1S/C12H15NO3/c1-12(11(15)16)6-8(7-13-12)9-4-2-3-5-10(9)14/h2-5,8,13-14H,6-7H2,1H3,(H,15,16)
InChIKeyXQDXNDPJEOVTGM-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.31
Rot. Bonds2

About 4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid

4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid (PubChem CID 117270263) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid
PubChem CID117270263
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid
SMILESCC1(C(=O)O)CC(c2ccccc2O)CN1
InChIInChI=1S/C12H15NO3/c1-12(11(15)16)6-8(7-13-12)9-4-2-3-5-10(9)14/h2-5,8,13-14H,6-7H2,1H3,(H,15,16)
InChIKeyXQDXNDPJEOVTGM-UHFFFAOYSA-N
XLogP1.31
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4S)-2-methyl-4-(4-methylphenyl)pyrrolidine-2-carboxylic acid
CID 98041254
4-(3-chlorophenyl)-2-methylpyrrolidine-2-carboxylic acid
CID 117270243
2-methyl-4-phenylpiperidine-2-carboxylic acid
CID 117258341
methyl (2S,4S)-2-methyl-4-phenylpyrrolidine-2-carboxylate
CID 86592479
(2S)-4-hydroxy-2-methylpyrrolidine-2-carboxylic acid
CID 57368515
2-[2-(hydroxymethyl)-2-methylpiperidin-4-yl]phenol
CID 117258606
[2-methyl-4-(2-methylphenyl)pyrrolidin-2-yl]methanol
CID 117270803
methyl 4-(4-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylate
CID 117270279
2-(3,3-difluorocyclobutyl)phenol
CID 115016625
(2R,4S)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid
CID 125424432
(2S,4S)-4-methoxy-2-methylpyrrolidine-2-carboxylic acid
CID 125424433
2-(6,6-dimethylpiperazin-2-yl)phenol
CID 82395867

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid (CID 117270263) is 4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid is CC1(C(=O)O)CC(c2ccccc2O)CN1.
What is the InChIKey of 4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid?
The InChIKey is XQDXNDPJEOVTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-12(11(15)16)6-8(7-13-12)9-4-2-3-5-10(9)14/h2-5,8,13-14H,6-7H2,1H3,(H,15,16).
What are the key properties of 4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid?
4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.31, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyphenyl)-2-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 117270263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).