2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid

C7H14NO5P — CID 155386844

IUPAC2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid
SMILESC=CP(=O)(OCC)OCCNC(=O)O
InChIInChI=1S/C7H14NO5P/c1-3-12-14(11,4-2)13-6-5-8-7(9)10/h4,8H,2-3,5-6H2,1H3,(H,9,10)
InChIKeyUOWNMONDTFSLMQ-UHFFFAOYSA-N
MW223.16 g/mol
LogP1.64
Rot. Bonds7

About 2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid

2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid (PubChem CID 155386844) has the molecular formula C7H14NO5P and a molecular weight of 223.16 g/mol. Its IUPAC name is 2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid.

Molecular Properties

Compound Name2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid
PubChem CID155386844
Molecular FormulaC7H14NO5P
Molecular Weight223.16 g/mol
Exact Mass223.06
IUPAC Name2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid
SMILESC=CP(=O)(OCC)OCCNC(=O)O
InChIInChI=1S/C7H14NO5P/c1-3-12-14(11,4-2)13-6-5-8-7(9)10/h4,8H,2-3,5-6H2,1H3,(H,9,10)
InChIKeyUOWNMONDTFSLMQ-UHFFFAOYSA-N
XLogP1.64
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[ethoxy(fluoro)phosphoryl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 138597190
1,14-bis[[ethenyl(pentoxy)phosphoryl]oxy]tetradecane
CID 156751885
1,10-bis[[ethenyl(pentoxy)phosphoryl]oxy]decane
CID 156751855
4-(2-diethoxyphosphorylethylamino)butylcarbamic acid
CID 19738171
ethenyl N-[2-[ethoxy(methoxy)phosphoryl]oxyethyl]carbamate;molecular hydrogen
CID 144547902
carbonic acid;prop-1-ene;triethyl phosphate
CID 174925075
2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamic acid
CID 123981606
2-diethoxyphosphoryl-1-ethoxyethenol
CID 15972171
diethyl 4-(prop-2-enoylamino)butyl phosphate
CID 151131859
4-oxo-4-[2-[prop-2-enoxy(propoxy)phosphoryl]oxyethylamino]butanoic acid
CID 58841977
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288
[acetyloxymethoxy(ethenyl)phosphoryl]oxymethyl acetate
CID 90882270

Frequently Asked Questions

What is the IUPAC name of 2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid?
The IUPAC name of 2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid (CID 155386844) is 2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid.
What is the SMILES notation for 2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid?
The canonical SMILES for 2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid is C=CP(=O)(OCC)OCCNC(=O)O.
What is the InChIKey of 2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid?
The InChIKey is UOWNMONDTFSLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO5P/c1-3-12-14(11,4-2)13-6-5-8-7(9)10/h4,8H,2-3,5-6H2,1H3,(H,9,10).
What are the key properties of 2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid?
2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid has a molecular weight of 223.16 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenyl(ethoxy)phosphoryl]oxyethylcarbamic acid is sourced from PubChem (CID 155386844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).