2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid

C14H19FN2O2 — CID 55250037

IUPAC2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid
SMILESCN(CC1CCCC1)c1cc(C(=O)O)c(N)cc1F
InChIInChI=1S/C14H19FN2O2/c1-17(8-9-4-2-3-5-9)13-6-10(14(18)19)12(16)7-11(13)15/h6-7,9H,2-5,8,16H2,1H3,(H,18,19)
InChIKeyQYXIPEQMJRQEAH-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.73
Rot. Bonds4

About 2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid

2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid (PubChem CID 55250037) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid
PubChem CID55250037
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid
SMILESCN(CC1CCCC1)c1cc(C(=O)O)c(N)cc1F
InChIInChI=1S/C14H19FN2O2/c1-17(8-9-4-2-3-5-9)13-6-10(14(18)19)12(16)7-11(13)15/h6-7,9H,2-5,8,16H2,1H3,(H,18,19)
InChIKeyQYXIPEQMJRQEAH-UHFFFAOYSA-N
XLogP2.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-fluoro-5-[methyl(oxan-3-ylmethyl)amino]benzoic acid
CID 63706925
2-amino-4-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 113419748
2-amino-4-fluoro-5-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]benzamide
CID 79312535
2-amino-5-[(1-ethylpyrrolidin-2-yl)methyl-methylamino]-4-fluorobenzamide
CID 79309783
2-[cyclopentylmethyl(methyl)amino]benzoic acid
CID 63632821
2-[cyclohexylmethyl(methyl)amino]benzoic acid
CID 61446190
2-[cyclohexylmethyl(methyl)amino]-5-methylbenzoic acid
CID 63537836
2-amino-4-fluoro-5-[methyl(2-phenylethyl)amino]benzoic acid
CID 65488128
2-[cyclopentylmethyl(methyl)amino]-4-methoxybenzoic acid
CID 81309673
2-[cyclobutylmethyl(methyl)amino]-5-(trifluoromethyl)benzoic acid
CID 62856621
4-bromo-2-N-(cyclopropylmethyl)-5-fluoro-2-N-methylbenzene-1,2-diamine
CID 116735579
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid?
The IUPAC name of 2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid (CID 55250037) is 2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid.
What is the SMILES notation for 2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid?
The canonical SMILES for 2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid is CN(CC1CCCC1)c1cc(C(=O)O)c(N)cc1F.
What is the InChIKey of 2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid?
The InChIKey is QYXIPEQMJRQEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-17(8-9-4-2-3-5-9)13-6-10(14(18)19)12(16)7-11(13)15/h6-7,9H,2-5,8,16H2,1H3,(H,18,19).
What are the key properties of 2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid?
2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid has a molecular weight of 266.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[cyclopentylmethyl(methyl)amino]-4-fluorobenzoic acid is sourced from PubChem (CID 55250037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).