ethyl 2-[methoxycarbonyl(methyl)amino]acetate

C7H13NO4 — CID 61233743

IUPACethyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)OC
InChIInChI=1S/C7H13NO4/c1-4-12-6(9)5-8(2)7(10)11-3/h4-5H2,1-3H3
InChIKeyCMTYJBXWQIYKML-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.25
Rot. Bonds3

About ethyl 2-[methoxycarbonyl(methyl)amino]acetate

ethyl 2-[methoxycarbonyl(methyl)amino]acetate (PubChem CID 61233743) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is ethyl 2-[methoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methoxycarbonyl(methyl)amino]acetate
PubChem CID61233743
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Nameethyl 2-[methoxycarbonyl(methyl)amino]acetate
SMILESCCOC(=O)CN(C)C(=O)OC
InChIInChI=1S/C7H13NO4/c1-4-12-6(9)5-8(2)7(10)11-3/h4-5H2,1-3H3
InChIKeyCMTYJBXWQIYKML-UHFFFAOYSA-N
XLogP0.25
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methoxycarbonyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[methoxycarbonyl(methyl)amino]acetate (CID 61233743) is ethyl 2-[methoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[methoxycarbonyl(methyl)amino]acetate is CCOC(=O)CN(C)C(=O)OC.
What is the InChIKey of ethyl 2-[methoxycarbonyl(methyl)amino]acetate?
The InChIKey is CMTYJBXWQIYKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-4-12-6(9)5-8(2)7(10)11-3/h4-5H2,1-3H3.
What are the key properties of ethyl 2-[methoxycarbonyl(methyl)amino]acetate?
ethyl 2-[methoxycarbonyl(methyl)amino]acetate has a molecular weight of 175.18 g/mol, XLogP of 0.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 61233743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).