methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate

C16H23NO3 — CID 102848899

IUPACmethyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CN(CCCO)C1CCC1
InChIInChI=1S/C16H23NO3/c1-20-16(19)15-9-3-2-6-13(15)12-17(10-5-11-18)14-7-4-8-14/h2-3,6,9,14,18H,4-5,7-8,10-12H2,1H3
InChIKeyDDBBODCMZYDEHT-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.21
Rot. Bonds7

About methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate

methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate (PubChem CID 102848899) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate
PubChem CID102848899
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Namemethyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CN(CCCO)C1CCC1
InChIInChI=1S/C16H23NO3/c1-20-16(19)15-9-3-2-6-13(15)12-17(10-5-11-18)14-7-4-8-14/h2-3,6,9,14,18H,4-5,7-8,10-12H2,1H3
InChIKeyDDBBODCMZYDEHT-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate
CID 82969182
3-[cyclobutyl-[(2-methoxyphenyl)methyl]amino]propan-1-ol
CID 103892705
2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-N'-hydroxybenzenecarboximidamide
CID 102862932
3-[cyclobutyl-[(2-ethoxyphenyl)methyl]amino]propan-1-ol
CID 102848832
methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate
CID 102860229
3-[[cyclobutyl(3-hydroxypropyl)amino]methyl]-2-fluorobenzenecarbothioamide
CID 107115730
methyl 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzoate
CID 102632732
methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate
CID 82969097
methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate
CID 82969568
methyl 2-[[methyl(thiolan-3-yl)amino]methyl]benzoate
CID 82969785
2-[[cyclohexyl(ethyl)amino]methyl]benzohydrazide
CID 63571134
3-[(2-amino-3-pyridinyl)methyl-cyclobutylamino]propan-1-ol
CID 102870514

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate (CID 102848899) is methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate is COC(=O)c1ccccc1CN(CCCO)C1CCC1.
What is the InChIKey of methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate?
The InChIKey is DDBBODCMZYDEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-20-16(19)15-9-3-2-6-13(15)12-17(10-5-11-18)14-7-4-8-14/h2-3,6,9,14,18H,4-5,7-8,10-12H2,1H3.
What are the key properties of methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate?
methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate has a molecular weight of 277.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate is sourced from PubChem (CID 102848899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).