(2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid

C13H14N2O2 — CID 2761904

IUPAC(2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESN#Cc1ccccc1C[C@@]1(C(=O)O)CCCN1
InChIInChI=1S/C13H14N2O2/c14-9-11-5-2-1-4-10(11)8-13(12(16)17)6-3-7-15-13/h1-2,4-5,15H,3,6-8H2,(H,16,17)/t13-/m1/s1
InChIKeyNXLJDEBGXLSVPT-CYBMUJFWSA-N
MW230.27 g/mol
LogP1.31
Rot. Bonds3

About (2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid

(2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 2761904) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is (2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID2761904
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name(2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESN#Cc1ccccc1C[C@@]1(C(=O)O)CCCN1
InChIInChI=1S/C13H14N2O2/c14-9-11-5-2-1-4-10(11)8-13(12(16)17)6-3-7-15-13/h1-2,4-5,15H,3,6-8H2,(H,16,17)/t13-/m1/s1
InChIKeyNXLJDEBGXLSVPT-CYBMUJFWSA-N
XLogP1.31
TPSA73.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid (CID 2761904) is (2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid is N#Cc1ccccc1C[C@@]1(C(=O)O)CCCN1.
What is the InChIKey of (2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NXLJDEBGXLSVPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H14N2O2/c14-9-11-5-2-1-4-10(11)8-13(12(16)17)6-3-7-15-13/h1-2,4-5,15H,3,6-8H2,(H,16,17)/t13-/m1/s1.
What are the key properties of (2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid?
(2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 230.27 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(2-cyanophenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2761904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).