1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

C12H15Cl2NO2 — CID 50851050

IUPAC1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2.ClH/c13-10-5-3-9(4-6-10)8-14-7-1-2-11(14)12(15)16;/h3-6,11H,1-2,7-8H2,(H,15,16);1H
InChIKeyGGRAEEGVXPCLLZ-UHFFFAOYSA-N
MW276.16 g/mol
LogP2.81
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride

1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 50851050) has the molecular formula C12H15Cl2NO2 and a molecular weight of 276.16 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID50851050
Molecular FormulaC12H15Cl2NO2
Molecular Weight276.16 g/mol
Exact Mass275.05
IUPAC Name1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.O=C(O)C1CCCN1Cc1ccc(Cl)cc1
InChIInChI=1S/C12H14ClNO2.ClH/c13-10-5-3-9(4-6-10)8-14-7-1-2-11(14)12(15)16;/h3-6,11H,1-2,7-8H2,(H,15,16);1H
InChIKeyGGRAEEGVXPCLLZ-UHFFFAOYSA-N
XLogP2.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.16
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-Chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 3243387
(S)-1-(4-(4-chlorobenzylamino)-4-oxobutanoyl)pyrrolidine-2-carboxylic acid
CID 46889286
N-Benzyl-L-proline
CID 728719
L-Proline, 1-((4-chlorophenyl)methyl)-5-oxo-
CID 3042462
2-(4-Chlorophenyl)-2-(dimethylamino)acetic acid
CID 242172
L-Proline, 1-((4-chlorophenyl)methyl)-5-oxo-, methyl ester
CID 3042458
L-Proline, 1-((2,6-dichlorophenyl)methyl)-5-oxo-
CID 3042475
(R)-1-(2-chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
(R)-1-(4-Chlorobenzyl)-5-oxopyrrolidine-2-carboxylic acid
CID 40582645
(2R,4R)-4-Amino-1-(4-chloro-benzyl)-pyrrolidine-2,4-dicarboxylic acid
CID 44302932
N-Benzyl-DL-proline
CID 562952
L-Proline, 1-((3,4-dichlorophenyl)methyl)-5-oxo-
CID 3042463

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride (CID 50851050) is 1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is Cl.O=C(O)C1CCCN1Cc1ccc(Cl)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is GGRAEEGVXPCLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2.ClH/c13-10-5-3-9(4-6-10)8-14-7-1-2-11(14)12(15)16;/h3-6,11H,1-2,7-8H2,(H,15,16);1H.
What are the key properties of 1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride?
1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 276.16 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 50851050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).