methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate

C12H23NO4 — CID 79621448

IUPACmethyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate
SMILESCCOC(=O)CCN(C)CC(C)(C)C(=O)OC
InChIInChI=1S/C12H23NO4/c1-6-17-10(14)7-8-13(4)9-12(2,3)11(15)16-5/h6-9H2,1-5H3
InChIKeyOYKLQYMYUVNOQO-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.07
Rot. Bonds7

About methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate

methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate (PubChem CID 79621448) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate
PubChem CID79621448
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Namemethyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate
SMILESCCOC(=O)CCN(C)CC(C)(C)C(=O)OC
InChIInChI=1S/C12H23NO4/c1-6-17-10(14)7-8-13(4)9-12(2,3)11(15)16-5/h6-9H2,1-5H3
InChIKeyOYKLQYMYUVNOQO-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-[butyl(methyl)amino]-2,2-dimethylpropanoate
CID 79624643
methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate
CID 79624848
methyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 79623514
methyl 3-[2-cyclobutylethyl(methyl)amino]-2,2-dimethylpropanoate
CID 115233730
ethyl 3-[[3-(ethylamino)-3-oxopropyl]-methylamino]propanoate
CID 62326480
methyl 3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoate
CID 79619789
ethyl 3-[3-hydroxypropyl(methyl)amino]propanoate
CID 62012804
ethyl 3-(dimethylamino)-2,2-dimethylpropanoate
CID 129270991
methyl 3-(diethylamino)-2,2-dimethylpropanoate
CID 79623821
ethyl 3-[2-[bis(3-ethoxy-3-oxopropyl)amino]ethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 87322437
4-O-ethyl 1-O-methyl butanedioate
CID 522068
ethyl 3-[3-ethoxypropyl(methyl)amino]propanoate
CID 65180568

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate (CID 79621448) is methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate is CCOC(=O)CCN(C)CC(C)(C)C(=O)OC.
What is the InChIKey of methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate?
The InChIKey is OYKLQYMYUVNOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-6-17-10(14)7-8-13(4)9-12(2,3)11(15)16-5/h6-9H2,1-5H3.
What are the key properties of methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate?
methyl 3-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate 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-[(3-ethoxy-3-oxopropyl)-methylamino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79621448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).