azetidine;phosphoric acid

C3H10NO4P — CID 172755037

IUPACazetidine;phosphoric acid
SMILESC1CNC1.O=P(O)(O)O
InChIInChI=1S/C3H7N.H3O4P/c1-2-4-3-1;1-5(2,3)4/h4H,1-3H2;(H3,1,2,3,4)
InChIKeyKXCJBOCBLZNXSC-UHFFFAOYSA-N
MW155.09 g/mol
LogP-0.95
Rot. Bonds

About azetidine;phosphoric acid

azetidine;phosphoric acid (PubChem CID 172755037) has the molecular formula C3H10NO4P and a molecular weight of 155.09 g/mol. Its IUPAC name is azetidine;phosphoric acid.

Molecular Properties

Compound Nameazetidine;phosphoric acid
PubChem CID172755037
Molecular FormulaC3H10NO4P
Molecular Weight155.09 g/mol
Exact Mass155.03
IUPAC Nameazetidine;phosphoric acid
SMILESC1CNC1.O=P(O)(O)O
InChIInChI=1S/C3H7N.H3O4P/c1-2-4-3-1;1-5(2,3)4/h4H,1-3H2;(H3,1,2,3,4)
InChIKeyKXCJBOCBLZNXSC-UHFFFAOYSA-N
XLogP-0.95
TPSA89.79 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.09
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phosphoric acid;tris(pyrrolidine)
CID 172771048
imidazolidine;phosphoric acid
CID 174516129
cyclohexane;phosphoric acid
CID 66712199
azane;cyclopropane;phosphoric acid
CID 67655484
molybdenum;phosphoric acid;zirconium
CID 173324853
dicalcium;hydron;phosphoric acid
CID 173008469
undecacalcium;hydride;phosphoric acid
CID 173326872
calcium;phosphoric acid;hydrate
CID 170923527
alumane;chromium;phosphoric acid
CID 174768488
calcium;hydron;phosphoric acid
CID 172996897
phosphoric acid;thiomorpholine
CID 174982514
aminophosphonic acid;piperazine
CID 175475544

Frequently Asked Questions

What is the IUPAC name of azetidine;phosphoric acid?
The IUPAC name of azetidine;phosphoric acid (CID 172755037) is azetidine;phosphoric acid.
What is the SMILES notation for azetidine;phosphoric acid?
The canonical SMILES for azetidine;phosphoric acid is C1CNC1.O=P(O)(O)O.
What is the InChIKey of azetidine;phosphoric acid?
The InChIKey is KXCJBOCBLZNXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N.H3O4P/c1-2-4-3-1;1-5(2,3)4/h4H,1-3H2;(H3,1,2,3,4).
What are the key properties of azetidine;phosphoric acid?
azetidine;phosphoric acid has a molecular weight of 155.09 g/mol, XLogP of -0.95, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azetidine;phosphoric acid is sourced from PubChem (CID 172755037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).