1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid

C17H20ClNO3 — CID 119355153

IUPAC1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1
InChIInChI=1S/C17H20ClNO3/c18-14-5-3-13(4-6-14)17(8-1-2-9-17)16(22)19-10-7-12(11-19)15(20)21/h3-6,12H,1-2,7-11H2,(H,20,21)
InChIKeyVMORSCMAVVEKLZ-UHFFFAOYSA-N
MW321.80 g/mol
LogP3.08
Rot. Bonds3

About 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid

1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid (PubChem CID 119355153) has the molecular formula C17H20ClNO3 and a molecular weight of 321.80 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
PubChem CID119355153
Molecular FormulaC17H20ClNO3
Molecular Weight321.80 g/mol
Exact Mass321.11
IUPAC Name1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1
InChIInChI=1S/C17H20ClNO3/c18-14-5-3-13(4-6-14)17(8-1-2-9-17)16(22)19-10-7-12(11-19)15(20)21/h3-6,12H,1-2,7-11H2,(H,20,21)
InChIKeyVMORSCMAVVEKLZ-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxamide
CID 56813691
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853
methyl 1-[1-(4-chlorophenyl)cyclopropanecarbonyl]pyrrolidine-3-carboxylate
CID 112733543
4-[1-(4-chlorophenyl)cyclobutanecarbonyl]morpholine-2-carboxylic acid
CID 122135290
1-[1-(4-bromophenyl)cyclobutanecarbonyl]piperidine-3-carboxylic acid
CID 119167254
[1-(4-chlorophenyl)cyclobutyl]-(3-methylpiperidin-1-yl)methanone
CID 59277648
[1-(4-chlorophenyl)cyclobutyl]-(3-hydroxypiperidin-1-yl)methanone;ethane
CID 142125179
[1-[1-(4-chlorophenyl)cyclobutanecarbonyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 78778814
1-[1-(3-chlorophenyl)cyclopropanecarbonyl]piperidine-3-carboxylic acid
CID 119167682
1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120533926
(3S)-1-[4-(3-chlorophenyl)oxane-4-carbonyl]pyrrolidine-3-carboxylic acid
CID 124703170
[1-(4-chlorophenyl)cyclopropyl]-(4-hydroxy-3-methylpiperidin-1-yl)methanone
CID 114679970

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid (CID 119355153) is 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid is O=C(O)C1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)C1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
The InChIKey is VMORSCMAVVEKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClNO3/c18-14-5-3-13(4-6-14)17(8-1-2-9-17)16(22)19-10-7-12(11-19)15(20)21/h3-6,12H,1-2,7-11H2,(H,20,21).
What are the key properties of 1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid?
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid has a molecular weight of 321.80 g/mol, XLogP of 3.08, 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-3-carboxylic acid is sourced from PubChem (CID 119355153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).