(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid

C13H17NO2 — CID 46839530

IUPAC(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid
SMILESCCc1ccc(C2CNC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C13H17NO2/c1-2-9-3-5-10(6-4-9)11-7-14-8-12(11)13(15)16/h3-6,11-12,14H,2,7-8H2,1H3,(H,15,16)/t11?,12-/m0/s1
InChIKeyIGZPTBQXMCKODY-KIYNQFGBSA-N
MW219.28 g/mol
LogP1.64
Rot. Bonds3

About (3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid

(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 46839530) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID46839530
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid
SMILESCCc1ccc(C2CNC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C13H17NO2/c1-2-9-3-5-10(6-4-9)11-7-14-8-12(11)13(15)16/h3-6,11-12,14H,2,7-8H2,1H3,(H,15,16)/t11?,12-/m0/s1
InChIKeyIGZPTBQXMCKODY-KIYNQFGBSA-N
XLogP1.64
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (3R,4R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylate
CID 129369498
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762183
(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972006
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 7145970
4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53398064
4-(4-cyanophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53398339
3-(4-ethylphenyl)-4-methylpiperidine
CID 66273597
(3S,4S)-3-(4-ethylphenyl)-4-(fluoromethyl)pyrrolidine
CID 129493276
(3R,4S)-4-thiophen-3-ylpyrrolidine-3-carboxylic acid
CID 56971991
4-[3-(2,2-dimethylpropyl)phenyl]pyrrolidine-3-carboxylic acid
CID 134694800
(3S,4S)-4-(4-ethylphenyl)pyrrolidine-3-carbonitrile
CID 129415806

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid (CID 46839530) is (3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid is CCc1ccc(C2CNC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IGZPTBQXMCKODY-KIYNQFGBSA-N. The full InChI is InChI=1S/C13H17NO2/c1-2-9-3-5-10(6-4-9)11-7-14-8-12(11)13(15)16/h3-6,11-12,14H,2,7-8H2,1H3,(H,15,16)/t11?,12-/m0/s1.
What are the key properties of (3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid?
(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 46839530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).