methyl 2-(dimethylamino)-3-methoxypropanoate

C7H15NO3 — CID 59922480

IUPACmethyl 2-(dimethylamino)-3-methoxypropanoate
SMILESCOCC(C(=O)OC)N(C)C
InChIInChI=1S/C7H15NO3/c1-8(2)6(5-10-3)7(9)11-4/h6H,5H2,1-4H3
InChIKeyRAUODNREGHYVEC-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.26
Rot. Bonds4

About methyl 2-(dimethylamino)-3-methoxypropanoate

methyl 2-(dimethylamino)-3-methoxypropanoate (PubChem CID 59922480) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is methyl 2-(dimethylamino)-3-methoxypropanoate.

Molecular Properties

Compound Namemethyl 2-(dimethylamino)-3-methoxypropanoate
PubChem CID59922480
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Namemethyl 2-(dimethylamino)-3-methoxypropanoate
SMILESCOCC(C(=O)OC)N(C)C
InChIInChI=1S/C7H15NO3/c1-8(2)6(5-10-3)7(9)11-4/h6H,5H2,1-4H3
InChIKeyRAUODNREGHYVEC-UHFFFAOYSA-N
XLogP-0.26
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(dimethylamino)-3-methoxypropanoate?
The IUPAC name of methyl 2-(dimethylamino)-3-methoxypropanoate (CID 59922480) is methyl 2-(dimethylamino)-3-methoxypropanoate.
What is the SMILES notation for methyl 2-(dimethylamino)-3-methoxypropanoate?
The canonical SMILES for methyl 2-(dimethylamino)-3-methoxypropanoate is COCC(C(=O)OC)N(C)C.
What is the InChIKey of methyl 2-(dimethylamino)-3-methoxypropanoate?
The InChIKey is RAUODNREGHYVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-8(2)6(5-10-3)7(9)11-4/h6H,5H2,1-4H3.
What are the key properties of methyl 2-(dimethylamino)-3-methoxypropanoate?
methyl 2-(dimethylamino)-3-methoxypropanoate has a molecular weight of 161.20 g/mol, XLogP of -0.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(dimethylamino)-3-methoxypropanoate is sourced from PubChem (CID 59922480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).