methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate

C14H19NO3 — CID 82969182

IUPACmethyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CN(CCO)C1CC1
InChIInChI=1S/C14H19NO3/c1-18-14(17)13-5-3-2-4-11(13)10-15(8-9-16)12-6-7-12/h2-5,12,16H,6-10H2,1H3
InChIKeyBKLDEODQJHZKCQ-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.43
Rot. Bonds6

About methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate

methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate (PubChem CID 82969182) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate
PubChem CID82969182
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccccc1CN(CCO)C1CC1
InChIInChI=1S/C14H19NO3/c1-18-14(17)13-5-3-2-4-11(13)10-15(8-9-16)12-6-7-12/h2-5,12,16H,6-10H2,1H3
InChIKeyBKLDEODQJHZKCQ-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[cyclobutyl(3-hydroxypropyl)amino]methyl]benzoate
CID 102848899
methyl 2-amino-6-[[cyclobutyl(2-hydroxyethyl)amino]methyl]benzoate
CID 102860229
methyl 2-[[2-hydroxyethyl(propyl)amino]methyl]benzoate
CID 82969097
N-cyclopropyl-N-(2-hydroxyethyl)-2-(methoxymethyl)benzamide
CID 43576629
methyl 2-[[cyclopropylmethyl(methyl)amino]methyl]benzoate
CID 82969568
methyl 2-[[methyl(thiolan-3-yl)amino]methyl]benzoate
CID 82969785
methyl 2-[[cyclopropyl-(1,1-dioxothiolan-3-yl)amino]methyl]benzoate
CID 122157832
methyl 2-[[(2-hydroxycyclohexyl)-methylamino]methyl]benzoate
CID 102632732
2-[[cyclopropyl(ethyl)amino]methyl]benzohydrazide
CID 63572317
methyl 2-[[bis(2-methoxyethyl)amino]methyl]benzoate
CID 82969793
3-[cyclopropyl-[(2-ethylphenyl)methyl]amino]propanoic acid
CID 65054443
methyl 2-[[methyl-(2-methyloxolan-3-yl)amino]methyl]benzoate
CID 82968974

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate?
The IUPAC name of methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate (CID 82969182) is methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate?
The canonical SMILES for methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate is COC(=O)c1ccccc1CN(CCO)C1CC1.
What is the InChIKey of methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate?
The InChIKey is BKLDEODQJHZKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-18-14(17)13-5-3-2-4-11(13)10-15(8-9-16)12-6-7-12/h2-5,12,16H,6-10H2,1H3.
What are the key properties of methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate?
methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate has a molecular weight of 249.31 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]benzoate is sourced from PubChem (CID 82969182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).