2-[methyl(propan-2-yl)amino]-2-oxoacetic acid

C6H11NO3 — CID 43444911

IUPAC2-[methyl(propan-2-yl)amino]-2-oxoacetic acid
SMILESCC(C)N(C)C(=O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(2)7(3)5(8)6(9)10/h4H,1-3H3,(H,9,10)
InChIKeyXSFCEQXSBXCBCL-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.06
Rot. Bonds1

About 2-[methyl(propan-2-yl)amino]-2-oxoacetic acid

2-[methyl(propan-2-yl)amino]-2-oxoacetic acid (PubChem CID 43444911) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-[methyl(propan-2-yl)amino]-2-oxoacetic acid.

Molecular Properties

Compound Name2-[methyl(propan-2-yl)amino]-2-oxoacetic acid
PubChem CID43444911
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-[methyl(propan-2-yl)amino]-2-oxoacetic acid
SMILESCC(C)N(C)C(=O)C(=O)O
InChIInChI=1S/C6H11NO3/c1-4(2)7(3)5(8)6(9)10/h4H,1-3H3,(H,9,10)
InChIKeyXSFCEQXSBXCBCL-UHFFFAOYSA-N
XLogP-0.06
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.06
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-[methyl(propan-2-yl)amino]-2-oxoacetic acid?
The IUPAC name of 2-[methyl(propan-2-yl)amino]-2-oxoacetic acid (CID 43444911) is 2-[methyl(propan-2-yl)amino]-2-oxoacetic acid.
What is the SMILES notation for 2-[methyl(propan-2-yl)amino]-2-oxoacetic acid?
The canonical SMILES for 2-[methyl(propan-2-yl)amino]-2-oxoacetic acid is CC(C)N(C)C(=O)C(=O)O.
What is the InChIKey of 2-[methyl(propan-2-yl)amino]-2-oxoacetic acid?
The InChIKey is XSFCEQXSBXCBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4(2)7(3)5(8)6(9)10/h4H,1-3H3,(H,9,10).
What are the key properties of 2-[methyl(propan-2-yl)amino]-2-oxoacetic acid?
2-[methyl(propan-2-yl)amino]-2-oxoacetic acid has a molecular weight of 145.16 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(propan-2-yl)amino]-2-oxoacetic acid is sourced from PubChem (CID 43444911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).