2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid

C9H21N2O5P — CID 19738170

IUPAC2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid
SMILESCCOP(=O)(CCNCCNC(=O)O)OCC
InChIInChI=1S/C9H21N2O5P/c1-3-15-17(14,16-4-2)8-7-10-5-6-11-9(12)13/h10-11H,3-8H2,1-2H3,(H,12,13)
InChIKeyXVLFVAHZXFQYIA-UHFFFAOYSA-N
MW268.25 g/mol
LogP1.11
Rot. Bonds10

About 2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid

2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid (PubChem CID 19738170) has the molecular formula C9H21N2O5P and a molecular weight of 268.25 g/mol. Its IUPAC name is 2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid.

Molecular Properties

Compound Name2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid
PubChem CID19738170
Molecular FormulaC9H21N2O5P
Molecular Weight268.25 g/mol
Exact Mass268.12
IUPAC Name2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid
SMILESCCOP(=O)(CCNCCNC(=O)O)OCC
InChIInChI=1S/C9H21N2O5P/c1-3-15-17(14,16-4-2)8-7-10-5-6-11-9(12)13/h10-11H,3-8H2,1-2H3,(H,12,13)
InChIKeyXVLFVAHZXFQYIA-UHFFFAOYSA-N
XLogP1.11
TPSA96.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-diethoxyphosphorylethylamino)ethyl]acetamide
CID 11821537
4-(2-Diethoxyphosphorylethylamino)butylcarbamic acid
CID 19738171
[2-[Bis(diethoxyphosphoryl)methylamino]-2-oxoethyl]carbamic acid
CID 155235919

Frequently Asked Questions

What is the IUPAC name of 2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid?
The IUPAC name of 2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid (CID 19738170) is 2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid.
What is the SMILES notation for 2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid?
The canonical SMILES for 2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid is CCOP(=O)(CCNCCNC(=O)O)OCC.
What is the InChIKey of 2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid?
The InChIKey is XVLFVAHZXFQYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N2O5P/c1-3-15-17(14,16-4-2)8-7-10-5-6-11-9(12)13/h10-11H,3-8H2,1-2H3,(H,12,13).
What are the key properties of 2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid?
2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid has a molecular weight of 268.25 g/mol, XLogP of 1.11, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-diethoxyphosphorylethylamino)ethylcarbamic acid is sourced from PubChem (CID 19738170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).