ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate

C15H21NO3 — CID 106203446

IUPACethyl 5-amino-2-(2-cyclobutylethoxy)benzoate
SMILESCCOC(=O)c1cc(N)ccc1OCCC1CCC1
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)13-10-12(16)6-7-14(13)19-9-8-11-4-3-5-11/h6-7,10-11H,2-5,8-9,16H2,1H3
InChIKeyZRHYQVNCEWOOKS-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.01
Rot. Bonds6

About ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate

ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate (PubChem CID 106203446) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate.

Molecular Properties

Compound Nameethyl 5-amino-2-(2-cyclobutylethoxy)benzoate
PubChem CID106203446
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 5-amino-2-(2-cyclobutylethoxy)benzoate
SMILESCCOC(=O)c1cc(N)ccc1OCCC1CCC1
InChIInChI=1S/C15H21NO3/c1-2-18-15(17)13-10-12(16)6-7-14(13)19-9-8-11-4-3-5-11/h6-7,10-11H,2-5,8-9,16H2,1H3
InChIKeyZRHYQVNCEWOOKS-UHFFFAOYSA-N
XLogP3.01
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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 5-amino-2-(3-fluoropropoxy)benzoate
CID 106955925
ethyl 3-amino-4-(2-cyclopropylethoxy)benzoate
CID 114157704
4-amino-2-(2-cyclobutylethoxy)benzoic acid
CID 106203435
ethyl 5-amino-2-(2-propoxyethoxy)benzoate
CID 55232457
ethyl 5-amino-2-(cyclobutylamino)benzoate
CID 62413866
4-(2-cyclohexylethoxy)-3-methylaniline
CID 26189992
ethyl 5-amino-2-methoxybenzoate
CID 22180184
2-cyclopropylethyl 5-chlorosulfonyl-2-ethoxybenzoate
CID 106206893
4-(2-cyclobutylethoxy)-3-(trifluoromethyl)aniline
CID 106199812
ethyl 5-amino-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzoate
CID 106955971
ethyl 5-amino-2-[cyclohexyl(ethyl)amino]benzoate
CID 61307078
ethyl 5-amino-2-[(4-methylmorpholin-2-yl)methoxy]benzoate
CID 106955980

Frequently Asked Questions

What is the IUPAC name of ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate?
The IUPAC name of ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate (CID 106203446) is ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate.
What is the SMILES notation for ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate?
The canonical SMILES for ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate is CCOC(=O)c1cc(N)ccc1OCCC1CCC1.
What is the InChIKey of ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate?
The InChIKey is ZRHYQVNCEWOOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-18-15(17)13-10-12(16)6-7-14(13)19-9-8-11-4-3-5-11/h6-7,10-11H,2-5,8-9,16H2,1H3.
What are the key properties of ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate?
ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate has a molecular weight of 263.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-amino-2-(2-cyclobutylethoxy)benzoate is sourced from PubChem (CID 106203446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).