5-phosphonooxypent-2-enoic acid

C5H9O6P — CID 87373940

IUPAC5-phosphonooxypent-2-enoic acid
SMILESO=C(O)C=CCCOP(=O)(O)O
InChIInChI=1S/C5H9O6P/c6-5(7)3-1-2-4-11-12(8,9)10/h1,3H,2,4H2,(H,6,7)(H2,8,9,10)
InChIKeyCDWRMUOUIVKTTK-UHFFFAOYSA-N
MW196.09 g/mol
LogP0.13
Rot. Bonds5

About 5-phosphonooxypent-2-enoic acid

5-phosphonooxypent-2-enoic acid (PubChem CID 87373940) has the molecular formula C5H9O6P and a molecular weight of 196.09 g/mol. Its IUPAC name is 5-phosphonooxypent-2-enoic acid.

Molecular Properties

Compound Name5-phosphonooxypent-2-enoic acid
PubChem CID87373940
Molecular FormulaC5H9O6P
Molecular Weight196.09 g/mol
Exact Mass196.01
IUPAC Name5-phosphonooxypent-2-enoic acid
SMILESO=C(O)C=CCCOP(=O)(O)O
InChIInChI=1S/C5H9O6P/c6-5(7)3-1-2-4-11-12(8,9)10/h1,3H,2,4H2,(H,6,7)(H2,8,9,10)
InChIKeyCDWRMUOUIVKTTK-UHFFFAOYSA-N
XLogP0.13
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.09
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chlorobut-3-enyl dihydrogen phosphate
CID 154328180
5-aminooxypent-2-enoic acid
CID 57274484
5-ethenoxypent-2-enoic acid
CID 173182638
(E)-5-acetyloxypent-2-enoic acid
CID 19026157
5-[2-(2-hydroxyethoxy)ethoxy]pent-2-enoic acid
CID 175090544
(E)-12-methoxydodec-2-enoic acid
CID 6473877
(E)-hex-2-enoic acid
CID 5282707
(Z)-but-2-enedioic acid;phosphono dihydrogen phosphate
CID 175171022
acetic acid;bis(2-aminoethyl dihydrogen phosphate);copper
CID 139211800
5-butanoyloxypent-2-enoic acid
CID 162252615
docosakis(hex-2-enoic acid);phosphane
CID 174896095
5-bromopent-2-enoic acid
CID 54205255

Frequently Asked Questions

What is the IUPAC name of 5-phosphonooxypent-2-enoic acid?
The IUPAC name of 5-phosphonooxypent-2-enoic acid (CID 87373940) is 5-phosphonooxypent-2-enoic acid.
What is the SMILES notation for 5-phosphonooxypent-2-enoic acid?
The canonical SMILES for 5-phosphonooxypent-2-enoic acid is O=C(O)C=CCCOP(=O)(O)O.
What is the InChIKey of 5-phosphonooxypent-2-enoic acid?
The InChIKey is CDWRMUOUIVKTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O6P/c6-5(7)3-1-2-4-11-12(8,9)10/h1,3H,2,4H2,(H,6,7)(H2,8,9,10).
What are the key properties of 5-phosphonooxypent-2-enoic acid?
5-phosphonooxypent-2-enoic acid has a molecular weight of 196.09 g/mol, XLogP of 0.13, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phosphonooxypent-2-enoic acid is sourced from PubChem (CID 87373940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).