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

C11H12ClNO2 — CID 141351291

IUPAC(2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@]1(c2ccc(Cl)cc2)CCCN1
InChIInChI=1S/C11H12ClNO2/c12-9-4-2-8(3-5-9)11(10(14)15)6-1-7-13-11/h2-5,13H,1,6-7H2,(H,14,15)/t11-/m0/s1
InChIKeyZKYGLLKKGCYRNH-NSHDSACASA-N
MW225.68 g/mol
LogP2.00
Rot. Bonds2

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

(2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 141351291) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid
PubChem CID141351291
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name(2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@]1(c2ccc(Cl)cc2)CCCN1
InChIInChI=1S/C11H12ClNO2/c12-9-4-2-8(3-5-9)11(10(14)15)6-1-7-13-11/h2-5,13H,1,6-7H2,(H,14,15)/t11-/m0/s1
InChIKeyZKYGLLKKGCYRNH-NSHDSACASA-N
XLogP2.00
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Benzeneacetic acid, alpha-amino-4-chloro-
CID 587821
2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
2-Phenyl-pyrrolidine-2-carboxylic acid
CID 3157294
(2S,3S,4S)-3-Carboxymethyl-4-[1-(4-chloro-phenyl)-vinyl]-pyrrolidine-2-carboxylic acid
CID 10566879
(2S,4S)-4-[(2-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 54581819
(2S)-2-amino-2-(4-chlorophenyl)acetic acid
CID 738019
(r)-2-Amino-2-(4-chlorophenyl)acetic acid
CID 738020
2-amino-2-(4-chlorophenyl)propanoic Acid
CID 3847762
(4R)-4-((2-Chlorophenyl)methyl)-L-proline--hydrogen chloride (1/1)
CID 2761973
(2S,4R)-4-(2,4-Dichlorobenzyl)pyrrolidine-2-carboxylic acid hydrochloride
CID 2762015
2-(4-Chlorophenyl)-2-(methylamino)acetic acid
CID 10856486
2-Phenylpyrrolidine-2-carboxylic acid hydrochloride
CID 54758974

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid (CID 141351291) is (2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@]1(c2ccc(Cl)cc2)CCCN1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZKYGLLKKGCYRNH-NSHDSACASA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-9-4-2-8(3-5-9)11(10(14)15)6-1-7-13-11/h2-5,13H,1,6-7H2,(H,14,15)/t11-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid?
(2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 225.68 g/mol, XLogP of 2.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141351291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).