(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid

C12H15NO2 — CID 7145905

IUPAC(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc([C@@H]2CNC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C12H15NO2/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyHOMQPSPEVRFBRQ-QWRGUYRKSA-N
MW205.26 g/mol
LogP1.38
Rot. Bonds2

About (3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid

(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 7145905) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is (3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID7145905
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc([C@@H]2CNC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C12H15NO2/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyHOMQPSPEVRFBRQ-QWRGUYRKSA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762183
(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972006
(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid
CID 46839530
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970
4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53398064
2-(4-methylphenyl)cyclopropane-1-carboxylic acid
CID 23423017
4-(4-methylphenyl)-N-propylpyrrolidine-3-carboxamide
CID 42680028
[4-(4-methylphenyl)pyrrolidin-3-yl]-pyrrolidin-1-ylmethanone
CID 42656377
4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53398339
(3S,4S)-4-(2-chloro-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 129494174
(3R,4S)-4-thiophen-3-ylpyrrolidine-3-carboxylic acid
CID 56971991
trans-(1R,2R)-2-(4-methylphenyl)cyclohexane-1-carboxylic acid
CID 54256967

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid (CID 7145905) is (3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid is Cc1ccc([C@@H]2CNC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is HOMQPSPEVRFBRQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H15NO2/c1-8-2-4-9(5-3-8)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of (3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid?
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 7145905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).