[2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

C13H14FNO4 — CID 7887546

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC2CC2)c(F)c1
InChIInChI=1S/C13H14FNO4/c1-18-9-4-5-10(11(14)6-9)13(17)19-7-12(16)15-8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,16)
InChIKeyXKERCRYULMKXTM-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.27
Rot. Bonds5

About [2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate

[2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate (PubChem CID 7887546) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
PubChem CID7887546
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCC(=O)NC2CC2)c(F)c1
InChIInChI=1S/C13H14FNO4/c1-18-9-4-5-10(11(14)6-9)13(17)19-7-12(16)15-8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,16)
InChIKeyXKERCRYULMKXTM-UHFFFAOYSA-N
XLogP1.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate 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

[2-(cyclopropylamino)-2-oxoethyl] 4-bromo-2-fluorobenzoate
CID 9387808
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2,5-dimethoxybenzoate
CID 7561176
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 2-bromo-5-methoxybenzoate
CID 46795122
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-fluoro-4-methoxybenzoate
CID 7887676
[(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-fluoro-4-methoxybenzoate
CID 7887835
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-fluoro-4-methoxybenzoate
CID 8509177
[2-[2-[2-(4-chlorophenoxy)acetyl]hydrazinyl]-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887713
[2-(4-ethylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887494
N-cyclopropyl-2-[4-(2-fluoro-4-methoxybenzoyl)piperazin-1-yl]acetamide
CID 86907285
N-(4-bromocyclohexyl)-2-fluoro-4-methoxybenzamide
CID 102885227
[2-(cyclopropylamino)-2-oxoethyl] 2-chloro-4-fluorobenzoate
CID 2570348
[2-(3-methylanilino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate
CID 7887503

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate (CID 7887546) is [2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate is COc1ccc(C(=O)OCC(=O)NC2CC2)c(F)c1.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate?
The InChIKey is XKERCRYULMKXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-18-9-4-5-10(11(14)6-9)13(17)19-7-12(16)15-8-2-3-8/h4-6,8H,2-3,7H2,1H3,(H,15,16).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate?
[2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate has a molecular weight of 267.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-fluoro-4-methoxybenzoate is sourced from PubChem (CID 7887546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).