3-carboxypropyl-methyl-oxophosphanium

C5H10O3P+ — CID 23415496

IUPAC3-carboxypropyl-methyl-oxophosphanium
SMILESC[P+](=O)CCCC(=O)O
InChIInChI=1S/C5H9O3P/c1-9(8)4-2-3-5(6)7/h2-4H2,1H3/p+1
InChIKeyCOPKEQJNIGBIOD-UHFFFAOYSA-O
MW149.11 g/mol
LogP1.31
Rot. Bonds4

About 3-carboxypropyl-methyl-oxophosphanium

3-carboxypropyl-methyl-oxophosphanium (PubChem CID 23415496) has the molecular formula C5H10O3P+ and a molecular weight of 149.11 g/mol. Its IUPAC name is 3-carboxypropyl-methyl-oxophosphanium.

Molecular Properties

Compound Name3-carboxypropyl-methyl-oxophosphanium
PubChem CID23415496
Molecular FormulaC5H10O3P+
Molecular Weight149.11 g/mol
Exact Mass149.04
IUPAC Name3-carboxypropyl-methyl-oxophosphanium
SMILESC[P+](=O)CCCC(=O)O
InChIInChI=1S/C5H9O3P/c1-9(8)4-2-3-5(6)7/h2-4H2,1H3/p+1
InChIKeyCOPKEQJNIGBIOD-UHFFFAOYSA-O
XLogP1.31
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.11
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-carboxypropyl-methyl-oxophosphanium?
The IUPAC name of 3-carboxypropyl-methyl-oxophosphanium (CID 23415496) is 3-carboxypropyl-methyl-oxophosphanium.
What is the SMILES notation for 3-carboxypropyl-methyl-oxophosphanium?
The canonical SMILES for 3-carboxypropyl-methyl-oxophosphanium is C[P+](=O)CCCC(=O)O.
What is the InChIKey of 3-carboxypropyl-methyl-oxophosphanium?
The InChIKey is COPKEQJNIGBIOD-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H9O3P/c1-9(8)4-2-3-5(6)7/h2-4H2,1H3/p+1.
What are the key properties of 3-carboxypropyl-methyl-oxophosphanium?
3-carboxypropyl-methyl-oxophosphanium has a molecular weight of 149.11 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-carboxypropyl-methyl-oxophosphanium is sourced from PubChem (CID 23415496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).