5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid

C14H18FNO3 — CID 117421579

IUPAC5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid
SMILESCOc1c(F)cc(C2(CN)CCCC2)cc1C(=O)O
InChIInChI=1S/C14H18FNO3/c1-19-12-10(13(17)18)6-9(7-11(12)15)14(8-16)4-2-3-5-14/h6-7H,2-5,8,16H2,1H3,(H,17,18)
InChIKeyPQLOZMFAYPKPMM-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.30
Rot. Bonds4

About 5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid

5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid (PubChem CID 117421579) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid
PubChem CID117421579
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid
SMILESCOc1c(F)cc(C2(CN)CCCC2)cc1C(=O)O
InChIInChI=1S/C14H18FNO3/c1-19-12-10(13(17)18)6-9(7-11(12)15)14(8-16)4-2-3-5-14/h6-7H,2-5,8,16H2,1H3,(H,17,18)
InChIKeyPQLOZMFAYPKPMM-UHFFFAOYSA-N
XLogP2.30
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(aminomethyl)cyclobutyl]-3-fluoro-2-methoxybenzoic acid
CID 117385602
5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid
CID 117421573
[1-(3-fluoro-4-methoxy-5-methylphenyl)cyclopentyl]methanamine
CID 117347260
4-[1-(aminomethyl)cyclopentyl]-2,6-difluorobenzoic acid
CID 117390771
4-[1-(aminomethyl)cyclohexyl]-2,6-difluorobenzoic acid
CID 117426291
5-[1-(aminomethyl)cyclopropyl]-2,3-difluorobenzoic acid
CID 117326286
[1-[3,5-difluoro-4-(methoxymethyl)phenyl]cyclopentyl]methanamine
CID 117391287
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
1-(3-fluoro-4-methoxy-5-methoxycarbonylphenyl)cyclohexane-1-carboxylic acid
CID 117495291
[1-(4-ethyl-3-fluoro-5-methoxyphenyl)cyclohexyl]methanamine
CID 117418082
[1-(3,5-dimethoxyphenyl)cyclopentyl]methanamine
CID 82026903
5-(1-aminocyclopentyl)-2,3-dimethoxybenzoic acid
CID 117416999

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid?
The IUPAC name of 5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid (CID 117421579) is 5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid.
What is the SMILES notation for 5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid?
The canonical SMILES for 5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid is COc1c(F)cc(C2(CN)CCCC2)cc1C(=O)O.
What is the InChIKey of 5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid?
The InChIKey is PQLOZMFAYPKPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-19-12-10(13(17)18)6-9(7-11(12)15)14(8-16)4-2-3-5-14/h6-7H,2-5,8,16H2,1H3,(H,17,18).
What are the key properties of 5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid?
5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid has a molecular weight of 267.30 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclopentyl]-3-fluoro-2-methoxybenzoic acid is sourced from PubChem (CID 117421579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).