cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate

C15H21NO4 — CID 115604510

IUPACcyclopentylmethyl 2-amino-3,5-dimethoxybenzoate
SMILESCOc1cc(OC)c(N)c(C(=O)OCC2CCCC2)c1
InChIInChI=1S/C15H21NO4/c1-18-11-7-12(14(16)13(8-11)19-2)15(17)20-9-10-5-3-4-6-10/h7-8,10H,3-6,9,16H2,1-2H3
InChIKeyLYBOXEIHQCVOCW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.63
Rot. Bonds5

About cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate

cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate (PubChem CID 115604510) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate.

Molecular Properties

Compound Namecyclopentylmethyl 2-amino-3,5-dimethoxybenzoate
PubChem CID115604510
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namecyclopentylmethyl 2-amino-3,5-dimethoxybenzoate
SMILESCOc1cc(OC)c(N)c(C(=O)OCC2CCCC2)c1
InChIInChI=1S/C15H21NO4/c1-18-11-7-12(14(16)13(8-11)19-2)15(17)20-9-10-5-3-4-6-10/h7-8,10H,3-6,9,16H2,1-2H3
InChIKeyLYBOXEIHQCVOCW-UHFFFAOYSA-N
XLogP2.63
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate 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-(dimethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 112606170
cyclododecylmethyl 2-(2,4-dimethoxyphenyl)-2-oxoacetate
CID 10023300
(1-methylpiperidin-4-yl) 2-amino-3,5-dimethoxybenzoate
CID 115950808
[3-(dimethylamino)-3-oxopropyl] 2-amino-3,5-dimethoxybenzoate
CID 115950825
2-(diethylamino)ethyl 2-amino-3,5-dimethoxybenzoate
CID 115950843
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-(2-amino-3,5-dimethoxyphenyl)methanone
CID 115950779
(2-amino-3,5-dimethoxyphenyl)-pyrrolidin-1-ylmethanone
CID 112606053
2-(trifluoromethylsulfanyl)ethyl 2-amino-3,5-dimethoxybenzoate
CID 116617304
(2-amino-3,5-dimethoxyphenyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106667097
2-amino-3,5-dimethoxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107416343
(1-ethoxy-1-oxopropan-2-yl) 2-amino-3,5-dimethoxybenzoate
CID 115626344
(1-amino-1-oxobutan-2-yl) 2-amino-3,5-dimethoxybenzoate
CID 115605847

Frequently Asked Questions

What is the IUPAC name of cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate?
The IUPAC name of cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate (CID 115604510) is cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate.
What is the SMILES notation for cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate?
The canonical SMILES for cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate is COc1cc(OC)c(N)c(C(=O)OCC2CCCC2)c1.
What is the InChIKey of cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate?
The InChIKey is LYBOXEIHQCVOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-18-11-7-12(14(16)13(8-11)19-2)15(17)20-9-10-5-3-4-6-10/h7-8,10H,3-6,9,16H2,1-2H3.
What are the key properties of cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate?
cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate has a molecular weight of 279.34 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentylmethyl 2-amino-3,5-dimethoxybenzoate is sourced from PubChem (CID 115604510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).