methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate

C12H23NO4 — CID 62027008

IUPACmethyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
SMILESCCOC(=O)CN(CC(C)C(=O)OC)C(C)C
InChIInChI=1S/C12H23NO4/c1-6-17-11(14)8-13(9(2)3)7-10(4)12(15)16-5/h9-10H,6-8H2,1-5H3
InChIKeyAQCWAJRIJOADPJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.07
Rot. Bonds7

About methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate

methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate (PubChem CID 62027008) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
PubChem CID62027008
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
SMILESCCOC(=O)CN(CC(C)C(=O)OC)C(C)C
InChIInChI=1S/C12H23NO4/c1-6-17-11(14)8-13(9(2)3)7-10(4)12(15)16-5/h9-10H,6-8H2,1-5H3
InChIKeyAQCWAJRIJOADPJ-UHFFFAOYSA-N
XLogP1.07
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62026064
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
methyl 3-[2-hydroxyethyl(propan-2-yl)amino]-2-methylpropanoate
CID 60648030
ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
CID 62026057
ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate
CID 102977138
ethyl 2-[3-chloroprop-2-enyl(propan-2-yl)amino]acetate
CID 76931432
ethyl 2-[(3-chloro-2-methylprop-2-enyl)-propan-2-ylamino]acetate
CID 106439800
methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
CID 81089731
ethyl 2-[(3-amino-2-methylpropanoyl)-propan-2-ylamino]acetate
CID 62670368
ethyl 2-[(4-ethylphenyl)methyl-propan-2-ylamino]acetate
CID 62028710
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetate
CID 112687535
ethyl 2-[(2-fluoroacetyl)-propan-2-ylamino]acetate
CID 170383647

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate (CID 62027008) is methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate is CCOC(=O)CN(CC(C)C(=O)OC)C(C)C.
What is the InChIKey of methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate?
The InChIKey is AQCWAJRIJOADPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-6-17-11(14)8-13(9(2)3)7-10(4)12(15)16-5/h9-10H,6-8H2,1-5H3.
What are the key properties of methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate?
methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate has a molecular weight of 245.32 g/mol, XLogP of 1.07, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate is sourced from PubChem (CID 62027008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).