4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid

C8H13NO5 — CID 5228146

IUPAC4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid
SMILESCCOC(=O)CNC(=O)CCC(=O)O
InChIInChI=1S/C8H13NO5/c1-2-14-8(13)5-9-6(10)3-4-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyOSHOVSXLUPWJMM-UHFFFAOYSA-N
MW203.19 g/mol
LogP-0.47
Rot. Bonds6

About 4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid

4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid (PubChem CID 5228146) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid
PubChem CID5228146
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid
SMILESCCOC(=O)CNC(=O)CCC(=O)O
InChIInChI=1S/C8H13NO5/c1-2-14-8(13)5-9-6(10)3-4-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12)
InChIKeyOSHOVSXLUPWJMM-UHFFFAOYSA-N
XLogP-0.47
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid (CID 5228146) is 4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid is CCOC(=O)CNC(=O)CCC(=O)O.
What is the InChIKey of 4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid?
The InChIKey is OSHOVSXLUPWJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO5/c1-2-14-8(13)5-9-6(10)3-4-7(11)12/h2-5H2,1H3,(H,9,10)(H,11,12).
What are the key properties of 4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid?
4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid has a molecular weight of 203.19 g/mol, XLogP of -0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-oxoethyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 5228146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).