benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate

C15H21NO3 — CID 111858639

IUPACbenzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate
SMILESCN(CC(=O)OCc1ccccc1)CC(O)C1CC1
InChIInChI=1S/C15H21NO3/c1-16(9-14(17)13-7-8-13)10-15(18)19-11-12-5-3-2-4-6-12/h2-6,13-14,17H,7-11H2,1H3
InChIKeyDPTLDZQMOLFZOF-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.43
Rot. Bonds7

About benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate

benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate (PubChem CID 111858639) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate.

Molecular Properties

Compound Namebenzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate
PubChem CID111858639
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namebenzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate
SMILESCN(CC(=O)OCc1ccccc1)CC(O)C1CC1
InChIInChI=1S/C15H21NO3/c1-16(9-14(17)13-7-8-13)10-15(18)19-11-12-5-3-2-4-6-12/h2-6,13-14,17H,7-11H2,1H3
InChIKeyDPTLDZQMOLFZOF-UHFFFAOYSA-N
XLogP1.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (2S)-2-cyclopropylpropanoate
CID 59779045
2-cyclopropyl-2-hydroxy-N-phenylmethoxyacetamide
CID 11241500
(2S)-2-cyclopropyl-2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
CID 171702913
benzyl 3-hydroxybutanoate
CID 562226
benzyl 3-[cyclopropyl(methyl)amino]-2-methylpropanoate
CID 106484239
N-(2-bromophenyl)-2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetamide
CID 111858986
dibenzyl 3-hydroxypentanedioate
CID 23067924
benzyl N-cyclopropyloxy-N-methylcarbamate
CID 169312845
benzyl N-[(3S)-3,4-dihydroxycyclopentyl]-N-methylcarbamate
CID 144529181
benzyl 2-(4-methylcyclohexyl)acetate
CID 147419326
benzyl 3-(2-cyclopropylpropylamino)-2-methylpropanoate
CID 106484144
benzyl N-(2-cyclobutyl-2-hydroxyethyl)carbamate
CID 131198455

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate?
The IUPAC name of benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate (CID 111858639) is benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate.
What is the SMILES notation for benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate?
The canonical SMILES for benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate is CN(CC(=O)OCc1ccccc1)CC(O)C1CC1.
What is the InChIKey of benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate?
The InChIKey is DPTLDZQMOLFZOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-16(9-14(17)13-7-8-13)10-15(18)19-11-12-5-3-2-4-6-12/h2-6,13-14,17H,7-11H2,1H3.
What are the key properties of benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate?
benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate has a molecular weight of 263.34 g/mol, XLogP of 1.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(2-cyclopropyl-2-hydroxyethyl)-methylamino]acetate is sourced from PubChem (CID 111858639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).