2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid

C14H19FN2O2 — CID 83207501

IUPAC2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid
SMILESCC(C)CN(c1ccc(F)c(N)c1C(=O)O)C1CC1
InChIInChI=1S/C14H19FN2O2/c1-8(2)7-17(9-3-4-9)11-6-5-10(15)13(16)12(11)14(18)19/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,18,19)
InChIKeyGZEFHJKICLHAAF-UHFFFAOYSA-N
MW266.32 g/mol
LogP2.73
Rot. Bonds5

About 2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid

2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid (PubChem CID 83207501) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid
PubChem CID83207501
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid
SMILESCC(C)CN(c1ccc(F)c(N)c1C(=O)O)C1CC1
InChIInChI=1S/C14H19FN2O2/c1-8(2)7-17(9-3-4-9)11-6-5-10(15)13(16)12(11)14(18)19/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,18,19)
InChIKeyGZEFHJKICLHAAF-UHFFFAOYSA-N
XLogP2.73
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-6-[cyclopropyl(prop-2-enyl)amino]-3-fluorobenzoic acid
CID 83205812
2-amino-6-[ethyl(2-methylpropyl)amino]-3-fluorobenzoic acid
CID 83215018
2-amino-6-(diethylamino)-3-fluorobenzoic acid
CID 83215090
2-amino-3-[cyclopropyl(2-methylpropyl)amino]benzamide
CID 113332803
2-amino-3-fluoro-6-[methyl-[2-methyl-3-(methylamino)-3-oxopropyl]amino]benzoic acid
CID 106916094
2-amino-6-[3,3-dimethylbutan-2-yl(methyl)amino]-3-fluorobenzoic acid
CID 83207069
2-amino-6-[(1,1-dioxothiolan-3-yl)-methylamino]-3-fluorobenzoic acid
CID 83215739
2-[cyclopropyl(2-methylpropyl)amino]-4-methylbenzoic acid
CID 62703034
2-amino-3-fluoro-6-[2-methoxyethyl(propan-2-yl)amino]benzoic acid
CID 83207318
1-N-cyclopropyl-3-fluoro-1-N-(3-methylbutyl)benzene-1,2-diamine
CID 78973859
2-amino-3-fluoro-6-[methyl(2-phenylethyl)amino]benzoic acid
CID 83206205
2-[(1S)-1-aminoethyl]-N-cyclopropyl-3-fluoro-N-(2-methylpropyl)aniline
CID 55189077

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid?
The IUPAC name of 2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid (CID 83207501) is 2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid.
What is the SMILES notation for 2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid?
The canonical SMILES for 2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid is CC(C)CN(c1ccc(F)c(N)c1C(=O)O)C1CC1.
What is the InChIKey of 2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid?
The InChIKey is GZEFHJKICLHAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-8(2)7-17(9-3-4-9)11-6-5-10(15)13(16)12(11)14(18)19/h5-6,8-9H,3-4,7,16H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid?
2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid has a molecular weight of 266.32 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[cyclopropyl(2-methylpropyl)amino]-3-fluorobenzoic acid is sourced from PubChem (CID 83207501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).