2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate

C10H19NO4 — CID 91709587

IUPAC2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCOC(=O)N(C)CC(=O)OCC(C)C
InChIInChI=1S/C10H19NO4/c1-5-14-10(13)11(4)6-9(12)15-7-8(2)3/h8H,5-7H2,1-4H3
InChIKeyMJHZIEDRWJWUMJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.27
Rot. Bonds5

About 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate

2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate (PubChem CID 91709587) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate.

Molecular Properties

Compound Name2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate
PubChem CID91709587
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate
SMILESCCOC(=O)N(C)CC(=O)OCC(C)C
InChIInChI=1S/C10H19NO4/c1-5-14-10(13)11(4)6-9(12)15-7-8(2)3/h8H,5-7H2,1-4H3
InChIKeyMJHZIEDRWJWUMJ-UHFFFAOYSA-N
XLogP1.27
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The IUPAC name of 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate (CID 91709587) is 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate.
What is the SMILES notation for 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The canonical SMILES for 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate is CCOC(=O)N(C)CC(=O)OCC(C)C.
What is the InChIKey of 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate?
The InChIKey is MJHZIEDRWJWUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-14-10(13)11(4)6-9(12)15-7-8(2)3/h8H,5-7H2,1-4H3.
What are the key properties of 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate?
2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate has a molecular weight of 217.26 g/mol, XLogP of 1.27, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 2-[ethoxycarbonyl(methyl)amino]acetate is sourced from PubChem (CID 91709587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).