methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate

C14H18ClNO4 — CID 117053281

IUPACmethyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate
SMILESCOC(=O)c1cc(Cl)c(OC2CCCC2N)c(OC)c1
InChIInChI=1S/C14H18ClNO4/c1-18-12-7-8(14(17)19-2)6-9(15)13(12)20-11-5-3-4-10(11)16/h6-7,10-11H,3-5,16H2,1-2H3
InChIKeyKFCHIXODGCKMHP-UHFFFAOYSA-N
MW299.75 g/mol
LogP2.39
Rot. Bonds4

About methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate

methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate (PubChem CID 117053281) has the molecular formula C14H18ClNO4 and a molecular weight of 299.75 g/mol. Its IUPAC name is methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate
PubChem CID117053281
Molecular FormulaC14H18ClNO4
Molecular Weight299.75 g/mol
Exact Mass299.09
IUPAC Namemethyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate
SMILESCOC(=O)c1cc(Cl)c(OC2CCCC2N)c(OC)c1
InChIInChI=1S/C14H18ClNO4/c1-18-12-7-8(14(17)19-2)6-9(15)13(12)20-11-5-3-4-10(11)16/h6-7,10-11H,3-5,16H2,1-2H3
InChIKeyKFCHIXODGCKMHP-UHFFFAOYSA-N
XLogP2.39
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.75
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-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

3-chloro-4-cyclopentyloxy-5-methoxybenzoic acid
CID 894048
methyl 3-chloro-4-(cyclobutylamino)-5-methoxybenzoate
CID 123475225
methyl 4-(2-aminoethoxy)-3-chloro-5-methoxybenzoate
CID 117053288
2-(3-chloro-4-cyclopentyloxy-5-methoxyphenyl)-2-oxoacetic acid
CID 117481061
methyl 3-chloro-5-methoxy-4-(pyrrolidin-2-ylmethoxy)benzoate
CID 117053306
lithium;3,5-dichloro-4-cyclopentyloxybenzoic acid;methyl 3,5-dichloro-4-cyclopentyloxybenzoate;hydroxide
CID 158093078
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 3-chloro-4,5-dimethoxybenzoate
CID 2499758
methyl 3-chloro-4-(2-cyanopropan-2-yloxy)-5-methoxybenzoate
CID 117053298
[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl] 3-chloro-4-ethoxy-5-methoxybenzoate
CID 11892412
methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate
CID 10447980
[1-(cyclopentylamino)-1-oxopropan-2-yl] 3-chloro-5-methoxy-4-propan-2-yloxybenzoate
CID 18081808
3-chloro-N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-4,5-dimethoxybenzamide
CID 7887810

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate?
The IUPAC name of methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate (CID 117053281) is methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate.
What is the SMILES notation for methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate?
The canonical SMILES for methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate is COC(=O)c1cc(Cl)c(OC2CCCC2N)c(OC)c1.
What is the InChIKey of methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate?
The InChIKey is KFCHIXODGCKMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4/c1-18-12-7-8(14(17)19-2)6-9(15)13(12)20-11-5-3-4-10(11)16/h6-7,10-11H,3-5,16H2,1-2H3.
What are the key properties of methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate?
methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate has a molecular weight of 299.75 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-aminocyclopentyl)oxy-3-chloro-5-methoxybenzoate is sourced from PubChem (CID 117053281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).