methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate

C10H21NO4 — CID 81089731

IUPACmethyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CC(OC)OC)C(C)C
InChIInChI=1S/C10H21NO4/c1-8(2)11(6-9(12)13-3)7-10(14-4)15-5/h8,10H,6-7H2,1-5H3
InChIKeyZTKXXTZGFVDTDI-UHFFFAOYSA-N
MW219.28 g/mol
LogP0.49
Rot. Bonds7

About methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate

methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate (PubChem CID 81089731) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
PubChem CID81089731
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Namemethyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
SMILESCOC(=O)CN(CC(OC)OC)C(C)C
InChIInChI=1S/C10H21NO4/c1-8(2)11(6-9(12)13-3)7-10(14-4)15-5/h8,10H,6-7H2,1-5H3
InChIKeyZTKXXTZGFVDTDI-UHFFFAOYSA-N
XLogP0.49
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate
CID 62026091
ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62026064
methyl 2-[3-fluoropropyl(propan-2-yl)amino]acetate
CID 81113798
methyl 2-[(3-butoxy-2-hydroxypropyl)-propan-2-ylamino]acetate
CID 107264311
2-[bis(2-methoxy-2-oxoethyl)amino]propanoic acid
CID 58403278
methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
CID 62227556
methyl 2-[(2-hydroxy-2-methylbutyl)-propan-2-ylamino]acetate
CID 114496789
methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62027008
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
methyl 2-[propan-2-yl(prop-2-enoyl)amino]acetate
CID 60948405
3-[2,2-dimethoxyethyl(propan-2-yl)amino]propan-1-ol
CID 66221489
methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate
CID 55208271

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate?
The IUPAC name of methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate (CID 81089731) is methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate is COC(=O)CN(CC(OC)OC)C(C)C.
What is the InChIKey of methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate?
The InChIKey is ZTKXXTZGFVDTDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-8(2)11(6-9(12)13-3)7-10(14-4)15-5/h8,10H,6-7H2,1-5H3.
What are the key properties of methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate?
methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate has a molecular weight of 219.28 g/mol, XLogP of 0.49, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 81089731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).