5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid

C17H23NO3 — CID 117467617

IUPAC5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2CC(C(=O)O)CN2)cc1C1CCCC1
InChIInChI=1S/C17H23NO3/c1-21-16-7-6-12(8-14(16)11-4-2-3-5-11)15-9-13(10-18-15)17(19)20/h6-8,11,13,15,18H,2-5,9-10H2,1H3,(H,19,20)
InChIKeyKAIGLDXRHCBXAT-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.09
Rot. Bonds4

About 5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid

5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117467617) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117467617
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2CC(C(=O)O)CN2)cc1C1CCCC1
InChIInChI=1S/C17H23NO3/c1-21-16-7-6-12(8-14(16)11-4-2-3-5-11)15-9-13(10-18-15)17(19)20/h6-8,11,13,15,18H,2-5,9-10H2,1H3,(H,19,20)
InChIKeyKAIGLDXRHCBXAT-UHFFFAOYSA-N
XLogP3.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(cyclopropylmethoxy)-4-methoxyphenyl]pyrrolidine-3-carboxylic acid
CID 117470579
5-(3-methoxy-4-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117412803
5-(4-cyclobutylphenyl)pyrrolidine-3-carboxylic acid
CID 117365462
5-(2,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117451340
5-(3,5-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117416973
5-(2-hydroxy-4,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117421330
4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 83652520
3-cyclohexyl-4-methoxybenzoic acid
CID 21199438
5-(2-bromo-5-methoxy-4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117499266
5-(2,5-dichloro-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117468457
5-(2-cyclobutyloxy-5-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117440422
5-[3-bromo-4-(methoxymethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 117499252

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid (CID 117467617) is 5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid is COc1ccc(C2CC(C(=O)O)CN2)cc1C1CCCC1.
What is the InChIKey of 5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is KAIGLDXRHCBXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-21-16-7-6-12(8-14(16)11-4-2-3-5-11)15-9-13(10-18-15)17(19)20/h6-8,11,13,15,18H,2-5,9-10H2,1H3,(H,19,20).
What are the key properties of 5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyl-4-methoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117467617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).