2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid

C10H19NO4 — CID 88738228

IUPAC2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid
SMILESCCOC(=O)CNC(CC)(CC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-10(5-2,9(13)14)11-7-8(12)15-6-3/h11H,4-7H2,1-3H3,(H,13,14)
InChIKeyHRCYDQDKNKWPKS-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds7

About 2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid

2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid (PubChem CID 88738228) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid.

Molecular Properties

Compound Name2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid
PubChem CID88738228
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid
SMILESCCOC(=O)CNC(CC)(CC)C(=O)O
InChIInChI=1S/C10H19NO4/c1-4-10(5-2,9(13)14)11-7-8(12)15-6-3/h11H,4-7H2,1-3H3,(H,13,14)
InChIKeyHRCYDQDKNKWPKS-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid?
The IUPAC name of 2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid (CID 88738228) is 2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid.
What is the SMILES notation for 2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid?
The canonical SMILES for 2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid is CCOC(=O)CNC(CC)(CC)C(=O)O.
What is the InChIKey of 2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid?
The InChIKey is HRCYDQDKNKWPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-10(5-2,9(13)14)11-7-8(12)15-6-3/h11H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid?
2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethoxy-2-oxoethyl)amino]-2-ethylbutanoic acid is sourced from PubChem (CID 88738228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).