2-(dihydroxyamino)butanoic acid

C4H9NO4 — CID 14325096

IUPAC2-(dihydroxyamino)butanoic acid
SMILESCCC(C(=O)O)N(O)O
InChIInChI=1S/C4H9NO4/c1-2-3(4(6)7)5(8)9/h3,8-9H,2H2,1H3,(H,6,7)
InChIKeyLIGCDBBRWWUYEW-UHFFFAOYSA-N
MW135.12 g/mol
LogP-0.07
Rot. Bonds3

About 2-(dihydroxyamino)butanoic acid

2-(dihydroxyamino)butanoic acid (PubChem CID 14325096) has the molecular formula C4H9NO4 and a molecular weight of 135.12 g/mol. Its IUPAC name is 2-(dihydroxyamino)butanoic acid.

Molecular Properties

Compound Name2-(dihydroxyamino)butanoic acid
PubChem CID14325096
Molecular FormulaC4H9NO4
Molecular Weight135.12 g/mol
Exact Mass135.05
IUPAC Name2-(dihydroxyamino)butanoic acid
SMILESCCC(C(=O)O)N(O)O
InChIInChI=1S/C4H9NO4/c1-2-3(4(6)7)5(8)9/h3,8-9H,2H2,1H3,(H,6,7)
InChIKeyLIGCDBBRWWUYEW-UHFFFAOYSA-N
XLogP-0.07
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.12
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-(dihydroxyamino)butanoic acid?
The IUPAC name of 2-(dihydroxyamino)butanoic acid (CID 14325096) is 2-(dihydroxyamino)butanoic acid.
What is the SMILES notation for 2-(dihydroxyamino)butanoic acid?
The canonical SMILES for 2-(dihydroxyamino)butanoic acid is CCC(C(=O)O)N(O)O.
What is the InChIKey of 2-(dihydroxyamino)butanoic acid?
The InChIKey is LIGCDBBRWWUYEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO4/c1-2-3(4(6)7)5(8)9/h3,8-9H,2H2,1H3,(H,6,7).
What are the key properties of 2-(dihydroxyamino)butanoic acid?
2-(dihydroxyamino)butanoic acid has a molecular weight of 135.12 g/mol, XLogP of -0.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dihydroxyamino)butanoic acid is sourced from PubChem (CID 14325096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).