1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid

C17H20ClNO3 — CID 18624627

IUPAC1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H20ClNO3/c18-13-7-5-12(6-8-13)17(9-1-2-10-17)16(22)19-11-3-4-14(19)15(20)21/h5-8,14H,1-4,9-11H2,(H,20,21)
InChIKeyNIGZZNAPHLXEMR-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.23
Rot. Bonds3

About 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid

1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid (PubChem CID 18624627) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid
PubChem CID18624627
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)C1(c2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C17H20ClNO3/c18-13-7-5-12(6-8-13)17(9-1-2-10-17)16(22)19-11-3-4-14(19)15(20)21/h5-8,14H,1-4,9-11H2,(H,20,21)
InChIKeyNIGZZNAPHLXEMR-UHFFFAOYSA-N
XLogP3.23
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.80
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid (CID 18624627) is 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)C1(c2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid?
The InChIKey is NIGZZNAPHLXEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c18-13-7-5-12(6-8-13)17(9-1-2-10-17)16(22)19-11-3-4-14(19)15(20)21/h5-8,14H,1-4,9-11H2,(H,20,21).
What are the key properties of 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid?
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid has a molecular weight of 321.80 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 18624627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).