ethyl 2-amino-3-(cyclopentylmethoxy)benzoate

C15H21NO3 — CID 115547349

IUPACethyl 2-amino-3-(cyclopentylmethoxy)benzoate
SMILESCCOC(=O)c1cccc(OCC2CCCC2)c1N
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)12-8-5-9-13(14(12)16)19-10-11-6-3-4-7-11/h5,8-9,11H,2-4,6-7,10,16H2,1H3
InChIKeyLWHGSZGVSKEROV-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.01
Rot. Bonds5

About ethyl 2-amino-3-(cyclopentylmethoxy)benzoate

ethyl 2-amino-3-(cyclopentylmethoxy)benzoate (PubChem CID 115547349) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 2-amino-3-(cyclopentylmethoxy)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(cyclopentylmethoxy)benzoate
PubChem CID115547349
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 2-amino-3-(cyclopentylmethoxy)benzoate
SMILESCCOC(=O)c1cccc(OCC2CCCC2)c1N
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)12-8-5-9-13(14(12)16)19-10-11-6-3-4-7-11/h5,8-9,11H,2-4,6-7,10,16H2,1H3
InChIKeyLWHGSZGVSKEROV-UHFFFAOYSA-N
XLogP3.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-3-(oxan-2-ylmethoxy)benzoate
CID 61375362
methyl 2-amino-3-(oxan-4-ylmethoxy)benzoate
CID 113333341
ethyl 2-(piperidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830906
ethyl 2-amino-3-(cyclopentylmethylsulfanyl)benzoate
CID 115547630
ethyl 2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoate
CID 115547213
ethyl 4-(cyclobutylmethoxy)-1H-indole-2-carboxylate
CID 66841782
ethyl 2-amino-3-octoxybenzoate
CID 115547094
ethyl 4-[2-(cyclohexylmethoxy)phenyl]-4-oxobutanoate
CID 11723416
ethyl 2-amino-3-cyclopentylsulfanylbenzoate
CID 113333459
cyclohexylmethyl 2-amino-6-ethoxybenzoate
CID 81414123
ethyl 2-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56829770
cyclohexylmethyl 2-amino-3-chlorobenzoate
CID 113333488

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(cyclopentylmethoxy)benzoate?
The IUPAC name of ethyl 2-amino-3-(cyclopentylmethoxy)benzoate (CID 115547349) is ethyl 2-amino-3-(cyclopentylmethoxy)benzoate.
What is the SMILES notation for ethyl 2-amino-3-(cyclopentylmethoxy)benzoate?
The canonical SMILES for ethyl 2-amino-3-(cyclopentylmethoxy)benzoate is CCOC(=O)c1cccc(OCC2CCCC2)c1N.
What is the InChIKey of ethyl 2-amino-3-(cyclopentylmethoxy)benzoate?
The InChIKey is LWHGSZGVSKEROV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-18-15(17)12-8-5-9-13(14(12)16)19-10-11-6-3-4-7-11/h5,8-9,11H,2-4,6-7,10,16H2,1H3.
What are the key properties of ethyl 2-amino-3-(cyclopentylmethoxy)benzoate?
ethyl 2-amino-3-(cyclopentylmethoxy)benzoate has a molecular weight of 263.34 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(cyclopentylmethoxy)benzoate is sourced from PubChem (CID 115547349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).