tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate

C14H27NO5 — CID 176618115

IUPACtert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate
SMILESCN(CCCO)CC(=O)OC(C)(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO5/c1-13(2,3)20-12(18)14(4,5)19-11(17)10-15(6)8-7-9-16/h16H,7-10H2,1-6H3
InChIKeyALRFMJHKXAGEBQ-UHFFFAOYSA-N
MW289.37 g/mol
LogP0.96
Rot. Bonds7

About tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate

tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate (PubChem CID 176618115) has the molecular formula C14H27NO5 and a molecular weight of 289.37 g/mol. Its IUPAC name is tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate
PubChem CID176618115
Molecular FormulaC14H27NO5
Molecular Weight289.37 g/mol
Exact Mass289.19
IUPAC Nametert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate
SMILESCN(CCCO)CC(=O)OC(C)(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO5/c1-13(2,3)20-12(18)14(4,5)19-11(17)10-15(6)8-7-9-16/h16H,7-10H2,1-6H3
InChIKeyALRFMJHKXAGEBQ-UHFFFAOYSA-N
XLogP0.96
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[2-[3-acetyloxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate
CID 176618140
2-[2-[bis(3-hydroxypropyl)amino]acetyl]oxy-2-methylpropanoic acid
CID 169192087
tert-butyl 2-[methyl(methylsulfonylmethyl)amino]acetate
CID 146649341
tert-butyl 2-[methyl-[2-[2-[methyl-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethylamino]ethyl]amino]acetate;molecular hydrogen
CID 145159668
tert-butyl N-hydroxy-N-(3-hydroxypropyl)carbamate
CID 86028321
tert-butyl 2-(7-hydroxyheptoxy)-2-methylpropanoate
CID 154931240
tert-butyl 2-[(4-hydroxy-2-methylbutyl)-methylamino]acetate
CID 87920779
tert-butyl N-[2-[4-hydroxybutyl(methyl)amino]ethyl]carbamate
CID 177165285
tert-butyl 2-(aminomethoxycarbonyloxy)-2-methylpropanoate
CID 155065541
[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl] 3-methylbut-3-enoate
CID 171736291
2-[2-[2-[2-[hydroxy(methyl)amino]acetyl]oxyethyl-methylamino]acetyl]oxy-2-methylpropanoic acid
CID 169191645
ethyl 2-[3-hydroxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 86655973

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate?
The IUPAC name of tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate (CID 176618115) is tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate.
What is the SMILES notation for tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate?
The canonical SMILES for tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate is CN(CCCO)CC(=O)OC(C)(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate?
The InChIKey is ALRFMJHKXAGEBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO5/c1-13(2,3)20-12(18)14(4,5)19-11(17)10-15(6)8-7-9-16/h16H,7-10H2,1-6H3.
What are the key properties of tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate?
tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate has a molecular weight of 289.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[3-hydroxypropyl(methyl)amino]acetyl]oxy-2-methylpropanoate is sourced from PubChem (CID 176618115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).