(4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium

C5H15NO4P+ — CID 88944301

IUPAC(4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium
SMILESCC(O)(CCN)[P+](O)(O)CO
InChIInChI=1S/C5H15NO4P/c1-5(8,2-3-6)11(9,10)4-7/h7-10H,2-4,6H2,1H3/q+1
InChIKeyCUWDVXRAPRLJQV-UHFFFAOYSA-N
MW184.15 g/mol
LogP-1.17
Rot. Bonds4

About (4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium

(4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium (PubChem CID 88944301) has the molecular formula C5H15NO4P+ and a molecular weight of 184.15 g/mol. Its IUPAC name is (4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium.

Molecular Properties

Compound Name(4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium
PubChem CID88944301
Molecular FormulaC5H15NO4P+
Molecular Weight184.15 g/mol
Exact Mass184.07
IUPAC Name(4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium
SMILESCC(O)(CCN)[P+](O)(O)CO
InChIInChI=1S/C5H15NO4P/c1-5(8,2-3-6)11(9,10)4-7/h7-10H,2-4,6H2,1H3/q+1
InChIKeyCUWDVXRAPRLJQV-UHFFFAOYSA-N
XLogP-1.17
TPSA106.94 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-1.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium 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

1,5-diamino-3-methylpentan-3-ol
CID 55289745
4-amino-2,2-dimethylbutan-1-ol
CID 55253832
ethane-1,2-diamine;tetrakis(propane-1,2-diol)
CID 19100522
1-amino-3-methylpentan-3-ol
CID 54320456
1,4-diamino-2-methylbutan-2-ol;dihydrochloride
CID 88739570
4-amino-1,1,1-trifluoro-2-methylbutan-2-ol
CID 79006473
4-aminobutane-1,2,2-triol
CID 90003311
6-amino-5-methylhexane-1,2,3,4,5-pentol
CID 174511102
1-[(4-amino-2-methylbutan-2-yl)amino]propan-2-ol
CID 174707457
4-amino-2-ethyl-2-methylbutan-1-ol
CID 105427654
5-amino-2,3-dihydroxy-2-methylpentanoic acid
CID 175482621
2,4-dimethylpentane-2,3,4-triol;propane-1,2,3-triol
CID 161347790

Frequently Asked Questions

What is the IUPAC name of (4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium?
The IUPAC name of (4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium (CID 88944301) is (4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium.
What is the SMILES notation for (4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium?
The canonical SMILES for (4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium is CC(O)(CCN)[P+](O)(O)CO.
What is the InChIKey of (4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium?
The InChIKey is CUWDVXRAPRLJQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H15NO4P/c1-5(8,2-3-6)11(9,10)4-7/h7-10H,2-4,6H2,1H3/q+1.
What are the key properties of (4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium?
(4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium has a molecular weight of 184.15 g/mol, XLogP of -1.17, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-hydroxybutan-2-yl)-dihydroxy-(hydroxymethyl)phosphanium is sourced from PubChem (CID 88944301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).