2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid

C9H16N2O5 — CID 65263773

IUPAC2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCOC(=O)NC(=O)CNC(C)(C)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-4-16-8(15)11-6(12)5-10-9(2,3)7(13)14/h10H,4-5H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKeyIJQSLXFXFHUPGT-UHFFFAOYSA-N
MW232.24 g/mol
LogP-0.29
Rot. Bonds5

About 2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid

2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 65263773) has the molecular formula C9H16N2O5 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID65263773
Molecular FormulaC9H16N2O5
Molecular Weight232.24 g/mol
Exact Mass232.11
IUPAC Name2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCOC(=O)NC(=O)CNC(C)(C)C(=O)O
InChIInChI=1S/C9H16N2O5/c1-4-16-8(15)11-6(12)5-10-9(2,3)7(13)14/h10H,4-5H2,1-3H3,(H,13,14)(H,11,12,15)
InChIKeyIJQSLXFXFHUPGT-UHFFFAOYSA-N
XLogP-0.29
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid 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 2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid (CID 65263773) is 2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid is CCOC(=O)NC(=O)CNC(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is IJQSLXFXFHUPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O5/c1-4-16-8(15)11-6(12)5-10-9(2,3)7(13)14/h10H,4-5H2,1-3H3,(H,13,14)(H,11,12,15).
What are the key properties of 2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid?
2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 232.24 g/mol, XLogP of -0.29, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(ethoxycarbonylamino)-2-oxoethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 65263773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).