2-phosphanylbutanedioic acid

C4H7O4P — CID 19911180

IUPAC2-phosphanylbutanedioic acid
SMILESO=C(O)CC(P)C(=O)O
InChIInChI=1S/C4H7O4P/c5-3(6)1-2(9)4(7)8/h2H,1,9H2,(H,5,6)(H,7,8)
InChIKeyUCNUAGQCOCSQMY-UHFFFAOYSA-N
MW150.07 g/mol
LogP-0.21
Rot. Bonds3

About 2-phosphanylbutanedioic acid

2-phosphanylbutanedioic acid (PubChem CID 19911180) has the molecular formula C4H7O4P and a molecular weight of 150.07 g/mol. Its IUPAC name is 2-phosphanylbutanedioic acid.

Molecular Properties

Compound Name2-phosphanylbutanedioic acid
PubChem CID19911180
Molecular FormulaC4H7O4P
Molecular Weight150.07 g/mol
Exact Mass150.01
IUPAC Name2-phosphanylbutanedioic acid
SMILESO=C(O)CC(P)C(=O)O
InChIInChI=1S/C4H7O4P/c5-3(6)1-2(9)4(7)8/h2H,1,9H2,(H,5,6)(H,7,8)
InChIKeyUCNUAGQCOCSQMY-UHFFFAOYSA-N
XLogP-0.21
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-phosphanylpropane-1,2,3-tricarboxylic acid
CID 57174577
2,7-bis(phosphanyl)octanedioic acid
CID 88597780
2-iodobutanedioic acid
CID 21453258
trisodium;hydride;propane-1,2,3-tricarboxylic acid
CID 173014092
butane-1,2,3,4-tetracarboxylic acid;molecular hydrogen
CID 173003473
carbonic acid;2-hydroxybutanedioic acid
CID 160732172
cobalt;2-hydroxybutanedioic acid
CID 87544145
(2R)-2-bromobutanedioic acid
CID 6995506
2-hydroxybutanedioic acid;iron
CID 174146167
azane;3,4-bis(carboxymethyl)hexanedioic acid
CID 155142229
CID 59102127
CID 59102127
(2S)-2-aminobutanedioic acid;molybdenum
CID 174753178

Frequently Asked Questions

What is the IUPAC name of 2-phosphanylbutanedioic acid?
The IUPAC name of 2-phosphanylbutanedioic acid (CID 19911180) is 2-phosphanylbutanedioic acid.
What is the SMILES notation for 2-phosphanylbutanedioic acid?
The canonical SMILES for 2-phosphanylbutanedioic acid is O=C(O)CC(P)C(=O)O.
What is the InChIKey of 2-phosphanylbutanedioic acid?
The InChIKey is UCNUAGQCOCSQMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7O4P/c5-3(6)1-2(9)4(7)8/h2H,1,9H2,(H,5,6)(H,7,8).
What are the key properties of 2-phosphanylbutanedioic acid?
2-phosphanylbutanedioic acid has a molecular weight of 150.07 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanylbutanedioic acid is sourced from PubChem (CID 19911180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).