methyl 4-amino-3-(2-cyclopentylethoxy)benzoate

C15H21NO3 — CID 114191521

IUPACmethyl 4-amino-3-(2-cyclopentylethoxy)benzoate
SMILESCOC(=O)c1ccc(N)c(OCCC2CCCC2)c1
InChIInChI=1S/C15H21NO3/c1-18-15(17)12-6-7-13(16)14(10-12)19-9-8-11-4-2-3-5-11/h6-7,10-11H,2-5,8-9,16H2,1H3
InChIKeyZUDMYTXYNPZMOT-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.01
Rot. Bonds5

About methyl 4-amino-3-(2-cyclopentylethoxy)benzoate

methyl 4-amino-3-(2-cyclopentylethoxy)benzoate (PubChem CID 114191521) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 4-amino-3-(2-cyclopentylethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-amino-3-(2-cyclopentylethoxy)benzoate
PubChem CID114191521
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 4-amino-3-(2-cyclopentylethoxy)benzoate
SMILESCOC(=O)c1ccc(N)c(OCCC2CCCC2)c1
InChIInChI=1S/C15H21NO3/c1-18-15(17)12-6-7-13(16)14(10-12)19-9-8-11-4-2-3-5-11/h6-7,10-11H,2-5,8-9,16H2,1H3
InChIKeyZUDMYTXYNPZMOT-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

methyl 4-(2-cyclopentylethoxy)-3,5-dimethoxybenzoate
CID 10447980
2-cyclobutylethyl 4-amino-3-methylbenzoate
CID 106203085
methyl 4-amino-3-(3-ethoxypropoxy)benzoate
CID 65180377
methyl 4-amino-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzoate
CID 112588482
methyl 4-amino-3-(2-butoxyethoxy)benzoate
CID 61483522
2-(2-cyclobutylethoxy)-4-methoxyaniline
CID 106199765
methyl 4-amino-3-octoxybenzoate
CID 15434652
methyl 4-amino-3-nonoxybenzoate
CID 43380216
methyl 3-amino-4-(cyclobutylmethoxy)benzoate
CID 65459005
methyl 4-amino-3-cyclopropyloxybenzoate
CID 134284521
ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate
CID 114157704
4-amino-3-(cyclopentylmethoxy)benzoic acid
CID 61344123

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-(2-cyclopentylethoxy)benzoate?
The IUPAC name of methyl 4-amino-3-(2-cyclopentylethoxy)benzoate (CID 114191521) is methyl 4-amino-3-(2-cyclopentylethoxy)benzoate.
What is the SMILES notation for methyl 4-amino-3-(2-cyclopentylethoxy)benzoate?
The canonical SMILES for methyl 4-amino-3-(2-cyclopentylethoxy)benzoate is COC(=O)c1ccc(N)c(OCCC2CCCC2)c1.
What is the InChIKey of methyl 4-amino-3-(2-cyclopentylethoxy)benzoate?
The InChIKey is ZUDMYTXYNPZMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-15(17)12-6-7-13(16)14(10-12)19-9-8-11-4-2-3-5-11/h6-7,10-11H,2-5,8-9,16H2,1H3.
What are the key properties of methyl 4-amino-3-(2-cyclopentylethoxy)benzoate?
methyl 4-amino-3-(2-cyclopentylethoxy)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 methyl 4-amino-3-(2-cyclopentylethoxy)benzoate is sourced from PubChem (CID 114191521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).