azane;carbamoyl(ethoxy)phosphinic acid

C3H11N2O4P — CID 12877611

IUPACazane;carbamoyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)C(N)=O.N
InChIInChI=1S/C3H8NO4P.H3N/c1-2-8-9(6,7)3(4)5;/h2H2,1H3,(H2,4,5)(H,6,7);1H3
InChIKeyOTSAMNSACVKIOJ-UHFFFAOYSA-N
MW170.10 g/mol
LogP0.45
Rot. Bonds3

About azane;carbamoyl(ethoxy)phosphinic acid

azane;carbamoyl(ethoxy)phosphinic acid (PubChem CID 12877611) has the molecular formula C3H11N2O4P and a molecular weight of 170.10 g/mol. Its IUPAC name is azane;carbamoyl(ethoxy)phosphinic acid.

Molecular Properties

Compound Nameazane;carbamoyl(ethoxy)phosphinic acid
PubChem CID12877611
Molecular FormulaC3H11N2O4P
Molecular Weight170.10 g/mol
Exact Mass170.05
IUPAC Nameazane;carbamoyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)C(N)=O.N
InChIInChI=1S/C3H8NO4P.H3N/c1-2-8-9(6,7)3(4)5;/h2H2,1H3,(H2,4,5)(H,6,7);1H3
InChIKeyOTSAMNSACVKIOJ-UHFFFAOYSA-N
XLogP0.45
TPSA124.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

carbamoyl(ethoxy)phosphinic acid;N,N-diethylethanamine
CID 173456241
barium(2+);carbamoyl(ethoxy)phosphinate;carbamoyl(ethoxy)phosphinic acid
CID 172741294
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
[ethoxy(methyl)phosphoryl]formamide
CID 174260075
azane;butoxy(carbamoyl)phosphinic acid;ethyl dibutoxyphosphorylformate
CID 173456268
alumane;ethyl dihydrogen phosphate
CID 173113989
alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
CID 87495286
CID 87495286
ethoxy-[1-[ethoxy(hydroxy)phosphoryl]ethenyl]phosphinic acid
CID 101374265
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
ethyl dihydrogen phosphate;N-methylmethanamine
CID 88518083

Frequently Asked Questions

What is the IUPAC name of azane;carbamoyl(ethoxy)phosphinic acid?
The IUPAC name of azane;carbamoyl(ethoxy)phosphinic acid (CID 12877611) is azane;carbamoyl(ethoxy)phosphinic acid.
What is the SMILES notation for azane;carbamoyl(ethoxy)phosphinic acid?
The canonical SMILES for azane;carbamoyl(ethoxy)phosphinic acid is CCOP(=O)(O)C(N)=O.N.
What is the InChIKey of azane;carbamoyl(ethoxy)phosphinic acid?
The InChIKey is OTSAMNSACVKIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO4P.H3N/c1-2-8-9(6,7)3(4)5;/h2H2,1H3,(H2,4,5)(H,6,7);1H3.
What are the key properties of azane;carbamoyl(ethoxy)phosphinic acid?
azane;carbamoyl(ethoxy)phosphinic acid has a molecular weight of 170.10 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;carbamoyl(ethoxy)phosphinic acid is sourced from PubChem (CID 12877611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).