2-[ethyl(methyl)amino]-2-oxoacetic acid

C5H9NO3 — CID 19887910

IUPAC2-[ethyl(methyl)amino]-2-oxoacetic acid
SMILESCCN(C)C(=O)C(=O)O
InChIInChI=1S/C5H9NO3/c1-3-6(2)4(7)5(8)9/h3H2,1-2H3,(H,8,9)
InChIKeyZCGJRLXCWZCTOU-UHFFFAOYSA-N
MW131.13 g/mol
LogP-0.45
Rot. Bonds1

About 2-[ethyl(methyl)amino]-2-oxoacetic acid

2-[ethyl(methyl)amino]-2-oxoacetic acid (PubChem CID 19887910) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]-2-oxoacetic acid
PubChem CID19887910
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-[ethyl(methyl)amino]-2-oxoacetic acid
SMILESCCN(C)C(=O)C(=O)O
InChIInChI=1S/C5H9NO3/c1-3-6(2)4(7)5(8)9/h3H2,1-2H3,(H,8,9)
InChIKeyZCGJRLXCWZCTOU-UHFFFAOYSA-N
XLogP-0.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[ethyl(methyl)amino]-2-oxoacetic acid (CID 19887910) is 2-[ethyl(methyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[ethyl(methyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[ethyl(methyl)amino]-2-oxoacetic acid is CCN(C)C(=O)C(=O)O.
What is the InChIKey of 2-[ethyl(methyl)amino]-2-oxoacetic acid?
The InChIKey is ZCGJRLXCWZCTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO3/c1-3-6(2)4(7)5(8)9/h3H2,1-2H3,(H,8,9).
What are the key properties of 2-[ethyl(methyl)amino]-2-oxoacetic acid?
2-[ethyl(methyl)amino]-2-oxoacetic acid has a molecular weight of 131.13 g/mol, XLogP of -0.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 19887910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).