methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate

C11H20N2O5 — CID 60965011

IUPACmethyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCCOC(=O)NC(=O)CN(C)CC(C)C(=O)OC
InChIInChI=1S/C11H20N2O5/c1-5-18-11(16)12-9(14)7-13(3)6-8(2)10(15)17-4/h8H,5-7H2,1-4H3,(H,12,14,16)
InChIKeyHEYWROMXCFDSIO-UHFFFAOYSA-N
MW260.29 g/mol
LogP-0.00
Rot. Bonds6

About methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate (PubChem CID 60965011) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate
PubChem CID60965011
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Namemethyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate
SMILESCCOC(=O)NC(=O)CN(C)CC(C)C(=O)OC
InChIInChI=1S/C11H20N2O5/c1-5-18-11(16)12-9(14)7-13(3)6-8(2)10(15)17-4/h8H,5-7H2,1-4H3,(H,12,14,16)
InChIKeyHEYWROMXCFDSIO-UHFFFAOYSA-N
XLogP-0.00
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate 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 methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate (CID 60965011) is methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate is CCOC(=O)NC(=O)CN(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate?
The InChIKey is HEYWROMXCFDSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-5-18-11(16)12-9(14)7-13(3)6-8(2)10(15)17-4/h8H,5-7H2,1-4H3,(H,12,14,16).
What are the key properties of methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate has a molecular weight of 260.29 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 60965011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).