1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid

C16H22ClNO2 — CID 106979306

IUPAC1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)c1ccccc1Cl
InChIInChI=1S/C16H22ClNO2/c1-3-9-16(15(19)20)10-6-11-18(16)12(2)13-7-4-5-8-14(13)17/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,19,20)
InChIKeyNDSCHQMRDRPIIF-UHFFFAOYSA-N
MW295.81 g/mol
LogP4.12
Rot. Bonds5

About 1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid

1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid (PubChem CID 106979306) has the molecular formula C16H22ClNO2 and a molecular weight of 295.81 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
PubChem CID106979306
Molecular FormulaC16H22ClNO2
Molecular Weight295.81 g/mol
Exact Mass295.13
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid
SMILESCCCC1(C(=O)O)CCCN1C(C)c1ccccc1Cl
InChIInChI=1S/C16H22ClNO2/c1-3-9-16(15(19)20)10-6-11-18(16)12(2)13-7-4-5-8-14(13)17/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,19,20)
InChIKeyNDSCHQMRDRPIIF-UHFFFAOYSA-N
XLogP4.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid (CID 106979306) is 1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid is CCCC1(C(=O)O)CCCN1C(C)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
The InChIKey is NDSCHQMRDRPIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO2/c1-3-9-16(15(19)20)10-6-11-18(16)12(2)13-7-4-5-8-14(13)17/h4-5,7-8,12H,3,6,9-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid?
1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid has a molecular weight of 295.81 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-2-propylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106979306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).