2-[(dihydroxyamino)methyl]-2-methylbutanoic acid

C6H13NO4 — CID 133065164

IUPAC2-[(dihydroxyamino)methyl]-2-methylbutanoic acid
SMILESCCC(C)(CN(O)O)C(=O)O
InChIInChI=1S/C6H13NO4/c1-3-6(2,5(8)9)4-7(10)11/h10-11H,3-4H2,1-2H3,(H,8,9)
InChIKeyNUFWDRNTSYBPGD-UHFFFAOYSA-N
MW163.17 g/mol
LogP0.57
Rot. Bonds4

About 2-[(dihydroxyamino)methyl]-2-methylbutanoic acid

2-[(dihydroxyamino)methyl]-2-methylbutanoic acid (PubChem CID 133065164) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-[(dihydroxyamino)methyl]-2-methylbutanoic acid.

Molecular Properties

Compound Name2-[(dihydroxyamino)methyl]-2-methylbutanoic acid
PubChem CID133065164
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-[(dihydroxyamino)methyl]-2-methylbutanoic acid
SMILESCCC(C)(CN(O)O)C(=O)O
InChIInChI=1S/C6H13NO4/c1-3-6(2,5(8)9)4-7(10)11/h10-11H,3-4H2,1-2H3,(H,8,9)
InChIKeyNUFWDRNTSYBPGD-UHFFFAOYSA-N
XLogP0.57
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 50.57
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)methyl]-2-methylbutanoic acid?
The IUPAC name of 2-[(dihydroxyamino)methyl]-2-methylbutanoic acid (CID 133065164) is 2-[(dihydroxyamino)methyl]-2-methylbutanoic acid.
What is the SMILES notation for 2-[(dihydroxyamino)methyl]-2-methylbutanoic acid?
The canonical SMILES for 2-[(dihydroxyamino)methyl]-2-methylbutanoic acid is CCC(C)(CN(O)O)C(=O)O.
What is the InChIKey of 2-[(dihydroxyamino)methyl]-2-methylbutanoic acid?
The InChIKey is NUFWDRNTSYBPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-3-6(2,5(8)9)4-7(10)11/h10-11H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 2-[(dihydroxyamino)methyl]-2-methylbutanoic acid?
2-[(dihydroxyamino)methyl]-2-methylbutanoic acid has a molecular weight of 163.17 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dihydroxyamino)methyl]-2-methylbutanoic acid is sourced from PubChem (CID 133065164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).