2-(hydroxyamino)-3-methylbutanoic acid

C5H11NO3 — CID 19902518

IUPAC2-(hydroxyamino)-3-methylbutanoic acid
SMILESCC(C)C(NO)C(=O)O
InChIInChI=1S/C5H11NO3/c1-3(2)4(6-9)5(7)8/h3-4,6,9H,1-2H3,(H,7,8)
InChIKeyPXEKBQAJOBYINU-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.07
Rot. Bonds3

About 2-(hydroxyamino)-3-methylbutanoic acid

2-(hydroxyamino)-3-methylbutanoic acid (PubChem CID 19902518) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 2-(hydroxyamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name2-(hydroxyamino)-3-methylbutanoic acid
PubChem CID19902518
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Name2-(hydroxyamino)-3-methylbutanoic acid
SMILESCC(C)C(NO)C(=O)O
InChIInChI=1S/C5H11NO3/c1-3(2)4(6-9)5(7)8/h3-4,6,9H,1-2H3,(H,7,8)
InChIKeyPXEKBQAJOBYINU-UHFFFAOYSA-N
XLogP0.07
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-3-methylbutanoic acid?
The IUPAC name of 2-(hydroxyamino)-3-methylbutanoic acid (CID 19902518) is 2-(hydroxyamino)-3-methylbutanoic acid.
What is the SMILES notation for 2-(hydroxyamino)-3-methylbutanoic acid?
The canonical SMILES for 2-(hydroxyamino)-3-methylbutanoic acid is CC(C)C(NO)C(=O)O.
What is the InChIKey of 2-(hydroxyamino)-3-methylbutanoic acid?
The InChIKey is PXEKBQAJOBYINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO3/c1-3(2)4(6-9)5(7)8/h3-4,6,9H,1-2H3,(H,7,8).
What are the key properties of 2-(hydroxyamino)-3-methylbutanoic acid?
2-(hydroxyamino)-3-methylbutanoic acid has a molecular weight of 133.15 g/mol, XLogP of 0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-3-methylbutanoic acid is sourced from PubChem (CID 19902518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).