(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid

C11H12ClNO2 — CID 97013871

IUPAC(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ccccc2Cl)C1
InChIInChI=1S/C11H12ClNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m1/s1
InChIKeyFPGYADRKFPWWLU-MRVPVSSYSA-N
MW225.68 g/mol
LogP2.25
Rot. Bonds2

About (3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid

(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid (PubChem CID 97013871) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is (3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
PubChem CID97013871
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCN(c2ccccc2Cl)C1
InChIInChI=1S/C11H12ClNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m1/s1
InChIKeyFPGYADRKFPWWLU-MRVPVSSYSA-N
XLogP2.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-hydroxyphenyl)piperidine-3-carboxylic acid
CID 115032530
1-[[1-(2-chlorophenyl)piperidin-3-yl]carbamoyl]piperidine-3-carboxylic acid
CID 122003462
(3S)-1-[(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703341
3-[[1-(2-chlorophenyl)pyrrolidin-3-yl]amino]propanoic acid
CID 117004291
1-(2-carboxyphenyl)piperidine-4-carboxylic acid
CID 82537864
1-(2-carboxyphenyl)piperidine-3-carboxylic acid
CID 82537818
3-[1-(2-chlorophenyl)piperidin-3-yl]propanoic acid
CID 117002682
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
1-(2-chlorophenyl)azetidin-3-ol
CID 170732975
1-[1-(2-chlorophenyl)-5-propan-2-yl-1,2,4-triazole-3-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354371
1-(2-chlorophenyl)piperidine-4-carbaldehyde
CID 143235350
(3R)-1-(2-chloro-4-pyridinyl)pyrrolidine-3-carboxylic acid
CID 129353758

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid (CID 97013871) is (3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CCN(c2ccccc2Cl)C1.
What is the InChIKey of (3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FPGYADRKFPWWLU-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-9-3-1-2-4-10(9)13-6-5-8(7-13)11(14)15/h1-4,8H,5-7H2,(H,14,15)/t8-/m1/s1.
What are the key properties of (3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid?
(3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 225.68 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-chlorophenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 97013871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).