methyl 2-[ethyl(methoxycarbonyl)amino]acetate

C7H13NO4 — CID 22976852

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

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

methyl 2-[ethyl(methoxycarbonyl)amino]acetate (PubChem CID 22976852) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is methyl 2-[ethyl(methoxycarbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethyl(methoxycarbonyl)amino]acetate
PubChem CID22976852
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Namemethyl 2-[ethyl(methoxycarbonyl)amino]acetate
SMILESCCN(CC(=O)OC)C(=O)OC
InChIInChI=1S/C7H13NO4/c1-4-8(7(10)12-3)5-6(9)11-2/h4-5H2,1-3H3
InChIKeyHMHDLOUOBCNPTP-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 methyl 2-[ethyl(methoxycarbonyl)amino]acetate?
The IUPAC name of methyl 2-[ethyl(methoxycarbonyl)amino]acetate (CID 22976852) is methyl 2-[ethyl(methoxycarbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethyl(methoxycarbonyl)amino]acetate?
The canonical SMILES for methyl 2-[ethyl(methoxycarbonyl)amino]acetate is CCN(CC(=O)OC)C(=O)OC.
What is the InChIKey of methyl 2-[ethyl(methoxycarbonyl)amino]acetate?
The InChIKey is HMHDLOUOBCNPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-4-8(7(10)12-3)5-6(9)11-2/h4-5H2,1-3H3.
What are the key properties of methyl 2-[ethyl(methoxycarbonyl)amino]acetate?
methyl 2-[ethyl(methoxycarbonyl)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 methyl 2-[ethyl(methoxycarbonyl)amino]acetate is sourced from PubChem (CID 22976852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).