ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate

C12H23NO4 — CID 62026064

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

About ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate

ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate (PubChem CID 62026064) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate.

Molecular Properties

Compound Nameethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
PubChem CID62026064
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nameethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
SMILESCCOC(=O)C(C)CN(CC(=O)OC)C(C)C
InChIInChI=1S/C12H23NO4/c1-6-17-12(15)10(4)7-13(9(2)3)8-11(14)16-5/h9-10H,6-8H2,1-5H3
InChIKeyOWEBCQMPLWZMAW-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

methyl 3-[(2-ethoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate
CID 62027008
methyl 2-[2,2-dimethoxyethyl(propan-2-yl)amino]acetate
CID 81089731
methyl 2-[[2-(dipropylamino)-2-oxoethyl]-propan-2-ylamino]acetate
CID 62027203
methyl 2-[2-cyanopropyl(propan-2-yl)amino]acetate
CID 62026091
methyl 2-[(3-butoxy-2-hydroxypropyl)-propan-2-ylamino]acetate
CID 107264311
ethyl 2-methyl-3-[2-methylpropyl(pentan-3-yl)amino]propanoate
CID 79483065
ethyl 2-methyl-3-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]propanoate
CID 106614541
methyl 2-[ethyl(pentan-2-yl)amino]acetate
CID 107885990
ethyl 3-[bis(2-amino-2-oxoethyl)amino]-2-methylpropanoate
CID 62922969
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
ethyl 2-[(2-butoxy-2-oxoethyl)-propan-2-ylamino]acetate
CID 62026057
methyl 2-[2-butoxyethyl(propan-2-yl)amino]acetate
CID 55208271

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate?
The IUPAC name of ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate (CID 62026064) is ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate.
What is the SMILES notation for ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate?
The canonical SMILES for ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate is CCOC(=O)C(C)CN(CC(=O)OC)C(C)C.
What is the InChIKey of ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate?
The InChIKey is OWEBCQMPLWZMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-6-17-12(15)10(4)7-13(9(2)3)8-11(14)16-5/h9-10H,6-8H2,1-5H3.
What are the key properties of ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate?
ethyl 3-[(2-methoxy-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 ethyl 3-[(2-methoxy-2-oxoethyl)-propan-2-ylamino]-2-methylpropanoate is sourced from PubChem (CID 62026064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).