(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid

C11H12ClNO2 — CID 17389652

IUPAC(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCNC1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO2/c12-8-3-1-7(2-4-8)10-9(11(14)15)5-6-13-10/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10?/m0/s1
InChIKeyYTJTWNRDSJORDF-RGURZIINSA-N
MW225.67 g/mol
LogP2.08
Rot. Bonds2

About (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid

(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 17389652) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID17389652
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CCNC1c1ccc(Cl)cc1
InChIInChI=1S/C11H12ClNO2/c12-8-3-1-7(2-4-8)10-9(11(14)15)5-6-13-10/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10?/m0/s1
InChIKeyYTJTWNRDSJORDF-RGURZIINSA-N
XLogP2.08
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 7141550
(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 17389651
methyl (2S,3R)-2-(4-chlorophenyl)pyrrolidine-3-carboxylate
CID 11207186
2-(4-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 82363541
(2S,3R)-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 67757979
2-[(4-chlorophenoxy)methyl]pyrrolidine-3-carboxylic acid
CID 82363503
trans-(1R,2R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 6993920
(1R)-2-(4-chlorophenyl)cyclopropane-1-carboxylic acid
CID 70153903
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149
methyl (2R,3R)-2-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate
CID 51432981
(2S,3S)-2-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 82392927
2-(3,5-dimethylphenyl)piperidine-3-carboxylic acid
CID 83918785

Frequently Asked Questions

What is the IUPAC name of (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid (CID 17389652) is (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CCNC1c1ccc(Cl)cc1.
What is the InChIKey of (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is YTJTWNRDSJORDF-RGURZIINSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-8-3-1-7(2-4-8)10-9(11(14)15)5-6-13-10/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10?/m0/s1.
What are the key properties of (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid?
(3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 225.67 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-(4-chlorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 17389652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).