2-(butan-2-ylamino)-2-oxoacetate

C6H10NO3- — CID 74544750

IUPAC2-(butan-2-ylamino)-2-oxoacetate
SMILESCCC(C)NC(=O)C(=O)[O-]
InChIInChI=1S/C6H11NO3/c1-3-4(2)7-5(8)6(9)10/h4H,3H2,1-2H3,(H,7,8)(H,9,10)/p-1
InChIKeyVARKFMHUVKZOHE-UHFFFAOYSA-M
MW144.15 g/mol
LogP-1.35
Rot. Bonds2

About 2-(butan-2-ylamino)-2-oxoacetate

2-(butan-2-ylamino)-2-oxoacetate (PubChem CID 74544750) has the molecular formula C6H10NO3- and a molecular weight of 144.15 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-oxoacetate.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-oxoacetate
PubChem CID74544750
Molecular FormulaC6H10NO3-
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Name2-(butan-2-ylamino)-2-oxoacetate
SMILESCCC(C)NC(=O)C(=O)[O-]
InChIInChI=1S/C6H11NO3/c1-3-4(2)7-5(8)6(9)10/h4H,3H2,1-2H3,(H,7,8)(H,9,10)/p-1
InChIKeyVARKFMHUVKZOHE-UHFFFAOYSA-M
XLogP-1.35
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 5-1.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(butan-2-ylamino)-2-oxoacetate?
The IUPAC name of 2-(butan-2-ylamino)-2-oxoacetate (CID 74544750) is 2-(butan-2-ylamino)-2-oxoacetate.
What is the SMILES notation for 2-(butan-2-ylamino)-2-oxoacetate?
The canonical SMILES for 2-(butan-2-ylamino)-2-oxoacetate is CCC(C)NC(=O)C(=O)[O-].
What is the InChIKey of 2-(butan-2-ylamino)-2-oxoacetate?
The InChIKey is VARKFMHUVKZOHE-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H11NO3/c1-3-4(2)7-5(8)6(9)10/h4H,3H2,1-2H3,(H,7,8)(H,9,10)/p-1.
What are the key properties of 2-(butan-2-ylamino)-2-oxoacetate?
2-(butan-2-ylamino)-2-oxoacetate has a molecular weight of 144.15 g/mol, XLogP of -1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-oxoacetate is sourced from PubChem (CID 74544750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).