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

C8H15NO3 — CID 19746229

IUPAC2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid
SMILESCCN(CC(C)C)C(=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-4-9(5-6(2)3)7(10)8(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyFVVGGCZACALZPE-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.58
Rot. Bonds3

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

2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid (PubChem CID 19746229) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid
PubChem CID19746229
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid
SMILESCCN(CC(C)C)C(=O)C(=O)O
InChIInChI=1S/C8H15NO3/c1-4-9(5-6(2)3)7(10)8(11)12/h6H,4-5H2,1-3H3,(H,11,12)
InChIKeyFVVGGCZACALZPE-UHFFFAOYSA-N
XLogP0.58
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.58
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(2-methylpropyl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid (CID 19746229) is 2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid is CCN(CC(C)C)C(=O)C(=O)O.
What is the InChIKey of 2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid?
The InChIKey is FVVGGCZACALZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-9(5-6(2)3)7(10)8(11)12/h6H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid?
2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid has a molecular weight of 173.21 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(2-methylpropyl)amino]-2-oxoacetic acid is sourced from PubChem (CID 19746229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).