ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate

C10H19NO4 — CID 22460058

IUPACethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)OC)C(C)(C)C
InChIInChI=1S/C10H19NO4/c1-6-15-8(12)7-11(9(13)14-5)10(2,3)4/h6-7H2,1-5H3
InChIKeyFVVKRTVQJIIOQJ-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.42
Rot. Bonds3

About ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate

ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate (PubChem CID 22460058) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate
PubChem CID22460058
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate
SMILESCCOC(=O)CN(C(=O)OC)C(C)(C)C
InChIInChI=1S/C10H19NO4/c1-6-15-8(12)7-11(9(13)14-5)10(2,3)4/h6-7H2,1-5H3
InChIKeyFVVKRTVQJIIOQJ-UHFFFAOYSA-N
XLogP1.42
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate?
The IUPAC name of ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate (CID 22460058) is ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate is CCOC(=O)CN(C(=O)OC)C(C)(C)C.
What is the InChIKey of ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate?
The InChIKey is FVVKRTVQJIIOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-6-15-8(12)7-11(9(13)14-5)10(2,3)4/h6-7H2,1-5H3.
What are the key properties of ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate?
ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate has a molecular weight of 217.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[tert-butyl(methoxycarbonyl)amino]acetate is sourced from PubChem (CID 22460058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).