[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid

C8H14NO4P — CID 88512843

IUPAC[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
SMILESC=CCN(CC=C)C(=O)CP(=O)(O)O
InChIInChI=1S/C8H14NO4P/c1-3-5-9(6-4-2)8(10)7-14(11,12)13/h3-4H,1-2,5-7H2,(H2,11,12,13)
InChIKeyFUPZNGLKWPABAG-UHFFFAOYSA-N
MW219.18 g/mol
LogP0.36
Rot. Bonds6

About [2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid

[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid (PubChem CID 88512843) has the molecular formula C8H14NO4P and a molecular weight of 219.18 g/mol. Its IUPAC name is [2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid.

Molecular Properties

Compound Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
PubChem CID88512843
Molecular FormulaC8H14NO4P
Molecular Weight219.18 g/mol
Exact Mass219.07
IUPAC Name[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid
SMILESC=CCN(CC=C)C(=O)CP(=O)(O)O
InChIInChI=1S/C8H14NO4P/c1-3-5-9(6-4-2)8(10)7-14(11,12)13/h3-4H,1-2,5-7H2,(H2,11,12,13)
InChIKeyFUPZNGLKWPABAG-UHFFFAOYSA-N
XLogP0.36
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.18
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-N,N-bis(prop-2-enyl)acetamide
CID 13241436
2-fluoro-N,N-bis(prop-2-enyl)acetamide
CID 176847586
4-oxo-N,N-bis(prop-2-enyl)butanamide
CID 173364816
6-[bis(prop-2-enyl)amino]-6-oxohexanoic acid
CID 43529248
2-phosphonoacetic acid;prop-2-enoic acid
CID 175306735
[5-[bis(prop-2-enyl)amino]-5-oxopentanoyl]oxidanium
CID 21354902
disodium;[2-(diethylamino)-2-oxoethyl]phosphonic acid;hydride
CID 173171688
[2-(dipropylamino)-2-oxoethyl]phosphonic acid
CID 19906185
butane;[2-(diethylamino)-2-oxoethyl]phosphonic acid
CID 88738432
10-oxo-N,N-bis(prop-2-enyl)undecanamide
CID 170397182
[phosphonomethyl(prop-2-enyl)amino]methylphosphonic acid
CID 4297291
3,3,3-trifluoro-N,N-bis(prop-2-enyl)propanamide
CID 176847603

Frequently Asked Questions

What is the IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid?
The IUPAC name of [2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid (CID 88512843) is [2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid.
What is the SMILES notation for [2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid?
The canonical SMILES for [2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid is C=CCN(CC=C)C(=O)CP(=O)(O)O.
What is the InChIKey of [2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid?
The InChIKey is FUPZNGLKWPABAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14NO4P/c1-3-5-9(6-4-2)8(10)7-14(11,12)13/h3-4H,1-2,5-7H2,(H2,11,12,13).
What are the key properties of [2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid?
[2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid has a molecular weight of 219.18 g/mol, XLogP of 0.36, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[bis(prop-2-enyl)amino]-2-oxoethyl]phosphonic acid is sourced from PubChem (CID 88512843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).