methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate

C15H22N2O3 — CID 102860229

IUPACmethyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate
SMILESCOC(=O)c1c(N)cccc1CN(CCO)C1CCC1
InChIInChI=1S/C15H22N2O3/c1-20-15(19)14-11(4-2-7-13(14)16)10-17(8-9-18)12-5-3-6-12/h2,4,7,12,18H,3,5-6,8-10,16H2,1H3
InChIKeyIXSRLFIMNSIALZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.40
Rot. Bonds6

About methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate

methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate (PubChem CID 102860229) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate
PubChem CID102860229
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namemethyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate
SMILESCOC(=O)c1c(N)cccc1CN(CCO)C1CCC1
InChIInChI=1S/C15H22N2O3/c1-20-15(19)14-11(4-2-7-13(14)16)10-17(8-9-18)12-5-3-6-12/h2,4,7,12,18H,3,5-6,8-10,16H2,1H3
InChIKeyIXSRLFIMNSIALZ-UHFFFAOYSA-N
XLogP1.40
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-[[cyclohexyl(2-hydroxyethyl)amino]methyl]benzoic acid
CID 104824537
methyl 2-amino-6-[[cyclopentyl(methyl)amino]methyl]benzoate
CID 104824299
methyl 2-amino-6-[[cycloheptyl(methyl)amino]methyl]benzoate
CID 104824398
methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate
CID 82969182
methyl 2-amino-6-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]benzoate
CID 107478541
methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate
CID 102848899
methyl 2-amino-6-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]benzoate
CID 104824404
methyl 2-amino-6-[[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]methyl]benzoate
CID 104824355
methyl 2-amino-6-[[methyl-[3-(methylamino)-3-oxopropyl]amino]methyl]benzoate
CID 106914531
methyl 2-amino-6-[[bis(2-methylpropyl)amino]methyl]benzoate
CID 104824380
2-amino-N-cyclopentyl-6-ethoxy-N-(2-hydroxyethyl)benzamide
CID 81396135
methyl 2-amino-6-[[butan-2-yl(methyl)amino]methyl]benzoate
CID 104824308

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate (CID 102860229) is methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate is COC(=O)c1c(N)cccc1CN(CCO)C1CCC1.
What is the InChIKey of methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate?
The InChIKey is IXSRLFIMNSIALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-20-15(19)14-11(4-2-7-13(14)16)10-17(8-9-18)12-5-3-6-12/h2,4,7,12,18H,3,5-6,8-10,16H2,1H3.
What are the key properties of methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate?
methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate has a molecular weight of 278.35 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate is sourced from PubChem (CID 102860229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).