methyl 2-(cyclopropylamino)-5-fluorobenzoate

C11H12FNO2 — CID 103439096

IUPACmethyl 2-(cyclopropylamino)-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NC1CC1
InChIInChI=1S/C11H12FNO2/c1-15-11(14)9-6-7(12)2-5-10(9)13-8-3-4-8/h2,5-6,8,13H,3-4H2,1H3
InChIKeySFKWWDDSZTVXAH-UHFFFAOYSA-N
MW209.22 g/mol
LogP2.19
Rot. Bonds3

About methyl 2-(cyclopropylamino)-5-fluorobenzoate

methyl 2-(cyclopropylamino)-5-fluorobenzoate (PubChem CID 103439096) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is methyl 2-(cyclopropylamino)-5-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(cyclopropylamino)-5-fluorobenzoate
PubChem CID103439096
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Namemethyl 2-(cyclopropylamino)-5-fluorobenzoate
SMILESCOC(=O)c1cc(F)ccc1NC1CC1
InChIInChI=1S/C11H12FNO2/c1-15-11(14)9-6-7(12)2-5-10(9)13-8-3-4-8/h2,5-6,8,13H,3-4H2,1H3
InChIKeySFKWWDDSZTVXAH-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-(cyclopropylamino)-5-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-fluoro-2-(oxan-4-ylamino)benzoate
CID 43735443
methyl 2-[(3,4-dimethylcyclohexyl)amino]-5-fluorobenzoate
CID 64744221
methyl 4-fluoro-2-[(4-propan-2-ylcyclohexyl)amino]benzoate
CID 63446386
methyl 5-fluoro-2-[(2,4,4-trimethylcyclopentyl)amino]benzoate
CID 106662137
methyl 2-[3-(cyclopropylamino)propanoylamino]-5-fluorobenzoate
CID 60867845
methyl 2-[[2-(cyclopentylamino)acetyl]amino]-5-fluorobenzoate
CID 60850707
methyl 2-(cyclopentylamino)-5-methylbenzoate
CID 43679174
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
methyl 2-(cyclopropylamino)benzoate
CID 83697867
methyl 2-[(1-benzylpyrrolidin-3-yl)amino]-5-fluorobenzoate
CID 113223887
methyl 2-[(2-chloro-5,6-dihydro-4H-cyclopenta[b]thiophen-4-yl)amino]-5-fluorobenzoate
CID 81234261
5-fluoro-2-[(4-hydroxycyclohexyl)amino]benzamide
CID 118939356

Frequently Asked Questions

What is the IUPAC name of methyl 2-(cyclopropylamino)-5-fluorobenzoate?
The IUPAC name of methyl 2-(cyclopropylamino)-5-fluorobenzoate (CID 103439096) is methyl 2-(cyclopropylamino)-5-fluorobenzoate.
What is the SMILES notation for methyl 2-(cyclopropylamino)-5-fluorobenzoate?
The canonical SMILES for methyl 2-(cyclopropylamino)-5-fluorobenzoate is COC(=O)c1cc(F)ccc1NC1CC1.
What is the InChIKey of methyl 2-(cyclopropylamino)-5-fluorobenzoate?
The InChIKey is SFKWWDDSZTVXAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-15-11(14)9-6-7(12)2-5-10(9)13-8-3-4-8/h2,5-6,8,13H,3-4H2,1H3.
What are the key properties of methyl 2-(cyclopropylamino)-5-fluorobenzoate?
methyl 2-(cyclopropylamino)-5-fluorobenzoate has a molecular weight of 209.22 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(cyclopropylamino)-5-fluorobenzoate is sourced from PubChem (CID 103439096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).