2-(2-phosphonopent-4-enyl)pentanedioic acid

C10H17O7P — CID 19357820

IUPAC2-(2-phosphonopent-4-enyl)pentanedioic acid
SMILESC=CCC(CC(CCC(=O)O)C(=O)O)P(=O)(O)O
InChIInChI=1S/C10H17O7P/c1-2-3-8(18(15,16)17)6-7(10(13)14)4-5-9(11)12/h2,7-8H,1,3-6H2,(H,11,12)(H,13,14)(H2,15,16,17)
InChIKeyGBWJRXCXCSVTQG-UHFFFAOYSA-N
MW280.21 g/mol
LogP1.06
Rot. Bonds9

About 2-(2-phosphonopent-4-enyl)pentanedioic acid

2-(2-phosphonopent-4-enyl)pentanedioic acid (PubChem CID 19357820) has the molecular formula C10H17O7P and a molecular weight of 280.21 g/mol. Its IUPAC name is 2-(2-phosphonopent-4-enyl)pentanedioic acid.

Molecular Properties

Compound Name2-(2-phosphonopent-4-enyl)pentanedioic acid
PubChem CID19357820
Molecular FormulaC10H17O7P
Molecular Weight280.21 g/mol
Exact Mass280.07
IUPAC Name2-(2-phosphonopent-4-enyl)pentanedioic acid
SMILESC=CCC(CC(CCC(=O)O)C(=O)O)P(=O)(O)O
InChIInChI=1S/C10H17O7P/c1-2-3-8(18(15,16)17)6-7(10(13)14)4-5-9(11)12/h2,7-8H,1,3-6H2,(H,11,12)(H,13,14)(H2,15,16,17)
InChIKeyGBWJRXCXCSVTQG-UHFFFAOYSA-N
XLogP1.06
TPSA132.13 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.21
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phosphonopentane-1,1,5-tricarboxylic acid
CID 88804998
octane-1,3,6,8-tetracarboxylic acid
CID 89155877
butane-1,2,4-tricarboxylic acid;butan-2-ylphosphonic acid
CID 175517249
2-oct-7-enylpentanedioic acid
CID 45359271
(2S)-2-[hydroxy(1-phosphonoprop-2-enyl)amino]pentanedioic acid
CID 87475629
2-[[4-carboxybutyl(hydroxy)phosphoryl]methyl]pentanedioic acid
CID 88884036
(3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid
CID 91799587
butanedioic acid;2-(hydroxymethyl)pentanedioic acid
CID 87135805
methane;2-prop-2-enylbutanedioic acid;hydrofluoride
CID 174751043
4,6-dicarboxyhexan-2-yl(oxo)sulfanium
CID 174058911
2-[2-[benzyl(hydroxy)phosphoryl]propyl]pentanedioic acid
CID 19357697
2-[hydroxy(phosphonomethyl)amino]pentanedioic acid
CID 87463060

Frequently Asked Questions

What is the IUPAC name of 2-(2-phosphonopent-4-enyl)pentanedioic acid?
The IUPAC name of 2-(2-phosphonopent-4-enyl)pentanedioic acid (CID 19357820) is 2-(2-phosphonopent-4-enyl)pentanedioic acid.
What is the SMILES notation for 2-(2-phosphonopent-4-enyl)pentanedioic acid?
The canonical SMILES for 2-(2-phosphonopent-4-enyl)pentanedioic acid is C=CCC(CC(CCC(=O)O)C(=O)O)P(=O)(O)O.
What is the InChIKey of 2-(2-phosphonopent-4-enyl)pentanedioic acid?
The InChIKey is GBWJRXCXCSVTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17O7P/c1-2-3-8(18(15,16)17)6-7(10(13)14)4-5-9(11)12/h2,7-8H,1,3-6H2,(H,11,12)(H,13,14)(H2,15,16,17).
What are the key properties of 2-(2-phosphonopent-4-enyl)pentanedioic acid?
2-(2-phosphonopent-4-enyl)pentanedioic acid has a molecular weight of 280.21 g/mol, XLogP of 1.06, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phosphonopent-4-enyl)pentanedioic acid is sourced from PubChem (CID 19357820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).