2-acetamido-2-aminobutanoic acid

C6H12N2O3 — CID 22364241

IUPAC2-acetamido-2-aminobutanoic acid
SMILESCCC(N)(NC(C)=O)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-3-6(7,5(10)11)8-4(2)9/h3,7H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyIXNUDGNYEQZABZ-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.73
Rot. Bonds3

About 2-acetamido-2-aminobutanoic acid

2-acetamido-2-aminobutanoic acid (PubChem CID 22364241) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-acetamido-2-aminobutanoic acid.

Molecular Properties

Compound Name2-acetamido-2-aminobutanoic acid
PubChem CID22364241
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-acetamido-2-aminobutanoic acid
SMILESCCC(N)(NC(C)=O)C(=O)O
InChIInChI=1S/C6H12N2O3/c1-3-6(7,5(10)11)8-4(2)9/h3,7H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyIXNUDGNYEQZABZ-UHFFFAOYSA-N
XLogP-0.73
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-2-aminobutanoic acid?
The IUPAC name of 2-acetamido-2-aminobutanoic acid (CID 22364241) is 2-acetamido-2-aminobutanoic acid.
What is the SMILES notation for 2-acetamido-2-aminobutanoic acid?
The canonical SMILES for 2-acetamido-2-aminobutanoic acid is CCC(N)(NC(C)=O)C(=O)O.
What is the InChIKey of 2-acetamido-2-aminobutanoic acid?
The InChIKey is IXNUDGNYEQZABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-3-6(7,5(10)11)8-4(2)9/h3,7H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 2-acetamido-2-aminobutanoic acid?
2-acetamido-2-aminobutanoic acid has a molecular weight of 160.17 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-2-aminobutanoic acid is sourced from PubChem (CID 22364241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).