(3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

C17H22FNO3 — CID 155019917

IUPAC(3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2CN(C3CCCC3)C[C@@]2(F)C(=O)O)cc1
InChIInChI=1S/C17H22FNO3/c1-22-14-8-6-12(7-9-14)15-10-19(13-4-2-3-5-13)11-17(15,18)16(20)21/h6-9,13,15H,2-5,10-11H2,1H3,(H,20,21)/t15?,17-/m0/s1
InChIKeyLSJRMFWDFVHXNX-LWKPJOBUSA-N
MW307.36 g/mol
LogP2.83
Rot. Bonds4

About (3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

(3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 155019917) has the molecular formula C17H22FNO3 and a molecular weight of 307.36 g/mol. Its IUPAC name is (3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID155019917
Molecular FormulaC17H22FNO3
Molecular Weight307.36 g/mol
Exact Mass307.16
IUPAC Name(3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C2CN(C3CCCC3)C[C@@]2(F)C(=O)O)cc1
InChIInChI=1S/C17H22FNO3/c1-22-14-8-6-12(7-9-14)15-10-19(13-4-2-3-5-13)11-17(15,18)16(20)21/h6-9,13,15H,2-5,10-11H2,1H3,(H,20,21)/t15?,17-/m0/s1
InChIKeyLSJRMFWDFVHXNX-LWKPJOBUSA-N
XLogP2.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R,4R)-1-cyclohexyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 130187181
(3R,4R)-1-cyclopentyl-3-ethoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 118551204
(3R)-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 155019919
(3R,4R)-1-(4-ethoxycyclohexyl)-3-methoxy-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 130195756
(3R,4R)-3-ethoxy-1-(4-methoxycyclohexyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 118551205
1-[2-[1-[(3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4,4-dimethylpyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 126736886
1-[2-[(3S,4R)-1-[(3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-(methoxymethyl)pyrrolidin-3-yl]-5-fluorophenyl]piperidine-4-carboxylic acid
CID 130195455
1-[2-[(3S,4R)-1-[(3R,4R)-1-cyclohexyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-ethylpyrrolidin-3-yl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 130186937
1-[2-[[(3S,4R)-1-[(3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-4-(methoxymethyl)pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)phenyl]piperidine-4-carboxylic acid
CID 175042324
(2S,6R)-4-[(3R,4R)-1-cyclobutyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-15-(trifluoromethyl)-4,12-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),14,16-triene-9-carboxylic acid
CID 126749178
anisole;1-cyclohexylpyrrolidine-3-carboxylic acid;ethane
CID 144968395
(2S,7S)-4-[(3R,4R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carbonyl]-N,N-dimethyl-15-(trifluoromethyl)-4,12-diazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),14,16-triene-9-carboxamide
CID 126748880

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (CID 155019917) is (3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is COc1ccc(C2CN(C3CCCC3)C[C@@]2(F)C(=O)O)cc1.
What is the InChIKey of (3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is LSJRMFWDFVHXNX-LWKPJOBUSA-N. The full InChI is InChI=1S/C17H22FNO3/c1-22-14-8-6-12(7-9-14)15-10-19(13-4-2-3-5-13)11-17(15,18)16(20)21/h6-9,13,15H,2-5,10-11H2,1H3,(H,20,21)/t15?,17-/m0/s1.
What are the key properties of (3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
(3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 307.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopentyl-3-fluoro-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 155019917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).