2-(hydroxyamino)butane-1,3-diol

C4H11NO3 — CID 54575342

IUPAC2-(hydroxyamino)butane-1,3-diol
SMILESCC(O)C(CO)NO
InChIInChI=1S/C4H11NO3/c1-3(7)4(2-6)5-8/h3-8H,2H2,1H3
InChIKeyQGXDFIWMMXYDLB-UHFFFAOYSA-N
MW121.14 g/mol
LogP-1.29
Rot. Bonds3

About 2-(hydroxyamino)butane-1,3-diol

2-(hydroxyamino)butane-1,3-diol (PubChem CID 54575342) has the molecular formula C4H11NO3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 2-(hydroxyamino)butane-1,3-diol.

Molecular Properties

Compound Name2-(hydroxyamino)butane-1,3-diol
PubChem CID54575342
Molecular FormulaC4H11NO3
Molecular Weight121.14 g/mol
Exact Mass121.07
IUPAC Name2-(hydroxyamino)butane-1,3-diol
SMILESCC(O)C(CO)NO
InChIInChI=1S/C4H11NO3/c1-3(7)4(2-6)5-8/h3-8H,2H2,1H3
InChIKeyQGXDFIWMMXYDLB-UHFFFAOYSA-N
XLogP-1.29
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 5-1.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(hydroxyamino)butane-1,3-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3R)-2-(methylamino)butane-1,3-diol
CID 59886106
2-(1-hydroxyethylamino)butane-1,3-diol
CID 88937689
(2S)-3-methyl-2-(sulfanylamino)butan-1-ol
CID 89196586
propane-1,2-diol
CID 23506506
methyl 3-[[(2R,3R)-1,3-dihydroxybutan-2-yl]amino]propanoate
CID 90207580
(2R)-3-methyl-2-(methylamino)butan-1-ol
CID 12695789
2-(methylamino)propane-1,1,3-triol
CID 175078903
(2R,3R)-butane-1,2,3-triol
CID 6398419
2-[[(2S)-2-hydroxypropyl]amino]-3-methylbutan-1-ol
CID 106932287
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]ethanethioamide
CID 102391134
3-(1,3-dihydroxybutan-2-ylamino)propane-1-sulfonic acid
CID 54026549
sodium;propane-1,2-diol;acetate
CID 88844727

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)butane-1,3-diol?
The IUPAC name of 2-(hydroxyamino)butane-1,3-diol (CID 54575342) is 2-(hydroxyamino)butane-1,3-diol.
What is the SMILES notation for 2-(hydroxyamino)butane-1,3-diol?
The canonical SMILES for 2-(hydroxyamino)butane-1,3-diol is CC(O)C(CO)NO.
What is the InChIKey of 2-(hydroxyamino)butane-1,3-diol?
The InChIKey is QGXDFIWMMXYDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3/c1-3(7)4(2-6)5-8/h3-8H,2H2,1H3.
What are the key properties of 2-(hydroxyamino)butane-1,3-diol?
2-(hydroxyamino)butane-1,3-diol has a molecular weight of 121.14 g/mol, XLogP of -1.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)butane-1,3-diol is sourced from PubChem (CID 54575342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).