aminophosphonous acid;3-aminopropane-1,2-diol

C3H13N2O4P — CID 21467903

IUPACaminophosphonous acid;3-aminopropane-1,2-diol
SMILESNCC(O)CO.NP(O)O
InChIInChI=1S/C3H9NO2.H4NO2P/c4-1-3(6)2-5;1-4(2)3/h3,5-6H,1-2,4H2;2-3H,1H2
InChIKeyJYBXFXLMAUDMHA-UHFFFAOYSA-N
MW172.12 g/mol
LogP-2.55
Rot. Bonds2

About aminophosphonous acid;3-aminopropane-1,2-diol

aminophosphonous acid;3-aminopropane-1,2-diol (PubChem CID 21467903) has the molecular formula C3H13N2O4P and a molecular weight of 172.12 g/mol. Its IUPAC name is aminophosphonous acid;3-aminopropane-1,2-diol.

Molecular Properties

Compound Nameaminophosphonous acid;3-aminopropane-1,2-diol
PubChem CID21467903
Molecular FormulaC3H13N2O4P
Molecular Weight172.12 g/mol
Exact Mass172.06
IUPAC Nameaminophosphonous acid;3-aminopropane-1,2-diol
SMILESNCC(O)CO.NP(O)O
InChIInChI=1S/C3H9NO2.H4NO2P/c4-1-3(6)2-5;1-4(2)3/h3,5-6H,1-2,4H2;2-3H,1H2
InChIKeyJYBXFXLMAUDMHA-UHFFFAOYSA-N
XLogP-2.55
TPSA132.96 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500172.12
LogP ≤ 5-2.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-aminopropane-1,2-diol;hydrate
CID 173080490
3-aminopropane-1,2-diol;oxalic acid
CID 160945488
6-aminohexane-1,2,5-triol
CID 19694623
acetic acid;3-aminopropane-1,2-diol
CID 158327345
CID 175729762
CID 175729762
3-aminopropane-1,2-diol;2-(3-aminopropylamino)ethanol
CID 141458925
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
gold;propane-1,2,3-triol
CID 87239797
CID 160843248
CID 160843248
(3-amino-2-hydroxypropyl) dihydrogen phosphite
CID 174521537
(1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid
CID 54128951

Frequently Asked Questions

What is the IUPAC name of aminophosphonous acid;3-aminopropane-1,2-diol?
The IUPAC name of aminophosphonous acid;3-aminopropane-1,2-diol (CID 21467903) is aminophosphonous acid;3-aminopropane-1,2-diol.
What is the SMILES notation for aminophosphonous acid;3-aminopropane-1,2-diol?
The canonical SMILES for aminophosphonous acid;3-aminopropane-1,2-diol is NCC(O)CO.NP(O)O.
What is the InChIKey of aminophosphonous acid;3-aminopropane-1,2-diol?
The InChIKey is JYBXFXLMAUDMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO2.H4NO2P/c4-1-3(6)2-5;1-4(2)3/h3,5-6H,1-2,4H2;2-3H,1H2.
What are the key properties of aminophosphonous acid;3-aminopropane-1,2-diol?
aminophosphonous acid;3-aminopropane-1,2-diol has a molecular weight of 172.12 g/mol, XLogP of -2.55, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aminophosphonous acid;3-aminopropane-1,2-diol is sourced from PubChem (CID 21467903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).