3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid

C11H19NO5 — CID 62230081

IUPAC3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid
SMILESCCOC(=O)CN(CC(C)C)C(=O)CC(=O)O
InChIInChI=1S/C11H19NO5/c1-4-17-11(16)7-12(6-8(2)3)9(13)5-10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyTVGODIYEEPICAS-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.51
Rot. Bonds7

About 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid

3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid (PubChem CID 62230081) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid.

Molecular Properties

Compound Name3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid
PubChem CID62230081
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Name3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid
SMILESCCOC(=O)CN(CC(C)C)C(=O)CC(=O)O
InChIInChI=1S/C11H19NO5/c1-4-17-11(16)7-12(6-8(2)3)9(13)5-10(14)15/h8H,4-7H2,1-3H3,(H,14,15)
InChIKeyTVGODIYEEPICAS-UHFFFAOYSA-N
XLogP0.51
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic 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 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid?
The IUPAC name of 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid (CID 62230081) is 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid.
What is the SMILES notation for 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid?
The canonical SMILES for 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid is CCOC(=O)CN(CC(C)C)C(=O)CC(=O)O.
What is the InChIKey of 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid?
The InChIKey is TVGODIYEEPICAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-4-17-11(16)7-12(6-8(2)3)9(13)5-10(14)15/h8H,4-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid?
3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid has a molecular weight of 245.27 g/mol, XLogP of 0.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxy-2-oxoethyl)-(2-methylpropyl)amino]-3-oxopropanoic acid is sourced from PubChem (CID 62230081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).