phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate

C7H10NO4P — CID 126593273

IUPACphosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate
SMILESO=C/C=C\C(=O)NCCC(=O)OP
InChIInChI=1S/C7H10NO4P/c9-5-1-2-6(10)8-4-3-7(11)12-13/h1-2,5H,3-4,13H2,(H,8,10)/b2-1-
InChIKeyUQSIWRRRAVPKJT-UPHRSURJSA-N
MW203.13 g/mol
LogP-0.42
Rot. Bonds5

About phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate

phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate (PubChem CID 126593273) has the molecular formula C7H10NO4P and a molecular weight of 203.13 g/mol. Its IUPAC name is phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate.

Molecular Properties

Compound Namephosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate
PubChem CID126593273
Molecular FormulaC7H10NO4P
Molecular Weight203.13 g/mol
Exact Mass203.03
IUPAC Namephosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate
SMILESO=C/C=C\C(=O)NCCC(=O)OP
InChIInChI=1S/C7H10NO4P/c9-5-1-2-6(10)8-4-3-7(11)12-13/h1-2,5H,3-4,13H2,(H,8,10)/b2-1-
InChIKeyUQSIWRRRAVPKJT-UPHRSURJSA-N
XLogP-0.42
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.13
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(Z)-N-(2-aminoethyl)-4-oxobut-2-enamide
CID 88954023
(Z)-N-[2-[(2-formamido-2-oxoethyl)amino]-2-oxoethyl]-4-oxobut-2-enamide
CID 138599210
methyl 4-[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]-4-oxobut-2-enoate
CID 123176870
methyl 3-[[(Z)-3-(3-methylphenyl)prop-2-enoyl]amino]propanoate
CID 96561918
ethyl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
CID 47437704
methyl 3-[[(E)-3-(5-methylthiophen-2-yl)prop-2-enoyl]amino]propanoate
CID 47109403
3-(oxaldehydoylamino)propanoic acid
CID 129042205
4-[[(2E)-penta-2,4-dienoyl]amino]butanoic acid
CID 145386687
propan-2-yl 3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]propanoate
CID 47123996
(Z)-N-[4-[5-[(Z)-4-amino-5,8-dioxooct-6-enyl]-3,6-dioxopiperazin-2-yl]butyl]-4-oxobut-2-enamide
CID 72944881
(2Z,4Z)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 102438927
(2E,4E)-N,N'-di(tetradecyl)hexa-2,4-dienediamide
CID 101160253

Frequently Asked Questions

What is the IUPAC name of phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate?
The IUPAC name of phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate (CID 126593273) is phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate.
What is the SMILES notation for phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate?
The canonical SMILES for phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate is O=C/C=C\C(=O)NCCC(=O)OP.
What is the InChIKey of phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate?
The InChIKey is UQSIWRRRAVPKJT-UPHRSURJSA-N. The full InChI is InChI=1S/C7H10NO4P/c9-5-1-2-6(10)8-4-3-7(11)12-13/h1-2,5H,3-4,13H2,(H,8,10)/b2-1-.
What are the key properties of phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate?
phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate has a molecular weight of 203.13 g/mol, XLogP of -0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 3-[[(Z)-4-oxobut-2-enoyl]amino]propanoate is sourced from PubChem (CID 126593273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).