(1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid

C3H11N2O3P — CID 54128951

IUPAC(1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid
SMILESNCC(CO)OP(N)O
InChIInChI=1S/C3H11N2O3P/c4-1-3(2-6)8-9(5)7/h3,6-7H,1-2,4-5H2
InChIKeyNSYKEKJZJQWMFW-UHFFFAOYSA-N
MW154.11 g/mol
LogP-1.50
Rot. Bonds4

About (1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid

(1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid (PubChem CID 54128951) has the molecular formula C3H11N2O3P and a molecular weight of 154.11 g/mol. Its IUPAC name is (1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid.

Molecular Properties

Compound Name(1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid
PubChem CID54128951
Molecular FormulaC3H11N2O3P
Molecular Weight154.11 g/mol
Exact Mass154.05
IUPAC Name(1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid
SMILESNCC(CO)OP(N)O
InChIInChI=1S/C3H11N2O3P/c4-1-3(2-6)8-9(5)7/h3,6-7H,1-2,4-5H2
InChIKeyNSYKEKJZJQWMFW-UHFFFAOYSA-N
XLogP-1.50
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 5-1.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-aminooxypropan-1-ol
CID 163580799
aminophosphonous acid;3-aminopropane-1,2-diol
CID 21467903
3-aminopropane-1,2-diol;hydrate
CID 173080490
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
(3-amino-2-hydroxypropyl) dihydrogen phosphite
CID 174521537
6-aminohexane-1,2,5-triol
CID 19694623
1-hydroxyoctoxyphosphonamidous acid
CID 87931231
2-(aminomethyl)-3-(hydroxymethyl)butane-1,4-diol
CID 87149692
2,3-diaminooxypropan-1-ol
CID 57423862
CID 87141403
CID 87141403
2-trihydroxysilyloxypropane-1,3-diol
CID 19856836
(2R,3R)-4-aminobutane-1,2,3-triol
CID 25150845

Frequently Asked Questions

What is the IUPAC name of (1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid?
The IUPAC name of (1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid (CID 54128951) is (1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid.
What is the SMILES notation for (1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid?
The canonical SMILES for (1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid is NCC(CO)OP(N)O.
What is the InChIKey of (1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid?
The InChIKey is NSYKEKJZJQWMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H11N2O3P/c4-1-3(2-6)8-9(5)7/h3,6-7H,1-2,4-5H2.
What are the key properties of (1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid?
(1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid has a molecular weight of 154.11 g/mol, XLogP of -1.50, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid is sourced from PubChem (CID 54128951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).