azane;phosphono N-ethylcarbamate

C3H11N2O5P — CID 88705839

IUPACazane;phosphono N-ethylcarbamate
SMILESCCNC(=O)OP(=O)(O)O.N
InChIInChI=1S/C3H8NO5P.H3N/c1-2-4-3(5)9-10(6,7)8;/h2H2,1H3,(H,4,5)(H2,6,7,8);1H3
InChIKeyYMUVAJCUGBIPJB-UHFFFAOYSA-N
MW186.10 g/mol
LogP-0.01
Rot. Bonds2

About azane;phosphono N-ethylcarbamate

azane;phosphono N-ethylcarbamate (PubChem CID 88705839) has the molecular formula C3H11N2O5P and a molecular weight of 186.10 g/mol. Its IUPAC name is azane;phosphono N-ethylcarbamate.

Molecular Properties

Compound Nameazane;phosphono N-ethylcarbamate
PubChem CID88705839
Molecular FormulaC3H11N2O5P
Molecular Weight186.10 g/mol
Exact Mass186.04
IUPAC Nameazane;phosphono N-ethylcarbamate
SMILESCCNC(=O)OP(=O)(O)O.N
InChIInChI=1S/C3H8NO5P.H3N/c1-2-4-3(5)9-10(6,7)8;/h2H2,1H3,(H,4,5)(H2,6,7,8);1H3
InChIKeyYMUVAJCUGBIPJB-UHFFFAOYSA-N
XLogP-0.01
TPSA130.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.10
LogP ≤ 5-0.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;phosphono N-ethylcarbamate?
The IUPAC name of azane;phosphono N-ethylcarbamate (CID 88705839) is azane;phosphono N-ethylcarbamate.
What is the SMILES notation for azane;phosphono N-ethylcarbamate?
The canonical SMILES for azane;phosphono N-ethylcarbamate is CCNC(=O)OP(=O)(O)O.N.
What is the InChIKey of azane;phosphono N-ethylcarbamate?
The InChIKey is YMUVAJCUGBIPJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO5P.H3N/c1-2-4-3(5)9-10(6,7)8;/h2H2,1H3,(H,4,5)(H2,6,7,8);1H3.
What are the key properties of azane;phosphono N-ethylcarbamate?
azane;phosphono N-ethylcarbamate has a molecular weight of 186.10 g/mol, XLogP of -0.01, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;phosphono N-ethylcarbamate is sourced from PubChem (CID 88705839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).