methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate

C14H19NO4 — CID 66781747

IUPACmethyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(OC2CCCC2)c1N
InChIInChI=1S/C14H19NO4/c1-17-11-8-7-10(14(16)18-2)12(15)13(11)19-9-5-3-4-6-9/h7-9H,3-6,15H2,1-2H3
InChIKeyUXLULUPADZBHCO-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.39
Rot. Bonds4

About methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate

methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate (PubChem CID 66781747) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate
PubChem CID66781747
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)c(OC2CCCC2)c1N
InChIInChI=1S/C14H19NO4/c1-17-11-8-7-10(14(16)18-2)12(15)13(11)19-9-5-3-4-6-9/h7-9H,3-6,15H2,1-2H3
InChIKeyUXLULUPADZBHCO-UHFFFAOYSA-N
XLogP2.39
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-amino-3-cyclopentyloxy-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

methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
methyl 2-amino-3-cyclohexyloxybenzoate
CID 113333231
ethane;methyl 4-cyclopentyloxy-3-methoxybenzoate
CID 144796199
methyl 2-cyclohexyloxybenzoate
CID 11345342
methyl 2-amino-3-(cyclooctylamino)benzoate
CID 115544352
methyl 4-amino-2-(3-methoxycyclohexyl)oxybenzoate
CID 106955060
methyl 3-amino-2-fluoro-4-methoxybenzoate
CID 84668671
methyl 2-[(3-cyclopentyloxy-4-methoxyphenyl)carbamoyl]benzoate
CID 19428226
3-cyclopentyloxy-2-fluoro-4-methoxyphenol
CID 125116751
methyl 3-amino-2-(3-methylcyclohexyl)oxybenzoate
CID 112579722
methyl 2-amino-3-cyclopentylsulfanylbenzoate
CID 115547626
(3-cyclohexyloxy-4-methoxycarbonylphenyl)boronic acid
CID 24822808

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate?
The IUPAC name of methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate (CID 66781747) is methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate.
What is the SMILES notation for methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate?
The canonical SMILES for methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate is COC(=O)c1ccc(OC)c(OC2CCCC2)c1N.
What is the InChIKey of methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate?
The InChIKey is UXLULUPADZBHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-11-8-7-10(14(16)18-2)12(15)13(11)19-9-5-3-4-6-9/h7-9H,3-6,15H2,1-2H3.
What are the key properties of methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate?
methyl 2-amino-3-cyclopentyloxy-4-methoxybenzoate has a molecular weight of 265.31 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 2-amino-3-cyclopentyloxy-4-methoxybenzoate is sourced from PubChem (CID 66781747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).