methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate

C8H15NO4 — CID 60658617

IUPACmethyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)OC
InChIInChI=1S/C8H15NO4/c1-9(6-8(11)13-3)5-4-7(10)12-2/h4-6H2,1-3H3
InChIKeySOFFDHKSAOJWMI-UHFFFAOYSA-N
MW189.21 g/mol
LogP-0.35
Rot. Bonds5

About methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate

methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate (PubChem CID 60658617) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
PubChem CID60658617
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Namemethyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
SMILESCOC(=O)CCN(C)CC(=O)OC
InChIInChI=1S/C8H15NO4/c1-9(6-8(11)13-3)5-4-7(10)12-2/h4-6H2,1-3H3
InChIKeySOFFDHKSAOJWMI-UHFFFAOYSA-N
XLogP-0.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-0.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
CID 118199886
methyl 2-[[4-(dimethylamino)-4-oxobutyl]-methylamino]acetate
CID 62026509
methyl 3-[[2-(azocan-1-yl)-2-oxoethyl]-methylamino]propanoate
CID 62011095
methyl 2-[methyl(octyl)amino]acetate
CID 62028594
methyl 2-[methyl(nonyl)amino]acetate
CID 61238688
methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate
CID 114448928
methyl 3-[[2-[bis(2-methylpropyl)amino]-2-oxoethyl]-methylamino]propanoate
CID 62010902
methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate
CID 102977071
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
CID 62010683
methyl 3-[dimethylamino(methyl)amino]propanoate;hydrobromide
CID 175531341
methyl 3-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]propanoate
CID 62011672

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate?
The IUPAC name of methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate (CID 60658617) is methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate.
What is the SMILES notation for methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate?
The canonical SMILES for methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate is COC(=O)CCN(C)CC(=O)OC.
What is the InChIKey of methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate?
The InChIKey is SOFFDHKSAOJWMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-9(6-8(11)13-3)5-4-7(10)12-2/h4-6H2,1-3H3.
What are the key properties of methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate?
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate has a molecular weight of 189.21 g/mol, XLogP of -0.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate is sourced from PubChem (CID 60658617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).