3,3-bis(dimethylphosphoryl)propanoic acid

C7H16O4P2 — CID 155820609

IUPAC3,3-bis(dimethylphosphoryl)propanoic acid
SMILESCP(C)(=O)C(CC(=O)O)P(C)(C)=O
InChIInChI=1S/C7H16O4P2/c1-12(2,10)7(5-6(8)9)13(3,4)11/h7H,5H2,1-4H3,(H,8,9)
InChIKeyQFMBYIFSEWOYRQ-UHFFFAOYSA-N
MW226.15 g/mol
LogP2.03
Rot. Bonds4

About 3,3-bis(dimethylphosphoryl)propanoic acid

3,3-bis(dimethylphosphoryl)propanoic acid (PubChem CID 155820609) has the molecular formula C7H16O4P2 and a molecular weight of 226.15 g/mol. Its IUPAC name is 3,3-bis(dimethylphosphoryl)propanoic acid.

Molecular Properties

Compound Name3,3-bis(dimethylphosphoryl)propanoic acid
PubChem CID155820609
Molecular FormulaC7H16O4P2
Molecular Weight226.15 g/mol
Exact Mass226.05
IUPAC Name3,3-bis(dimethylphosphoryl)propanoic acid
SMILESCP(C)(=O)C(CC(=O)O)P(C)(C)=O
InChIInChI=1S/C7H16O4P2/c1-12(2,10)7(5-6(8)9)13(3,4)11/h7H,5H2,1-4H3,(H,8,9)
InChIKeyQFMBYIFSEWOYRQ-UHFFFAOYSA-N
XLogP2.03
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,3-bis(dimethylphosphoryl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,3-bis(diethoxyphosphoryl)propanoic acid
CID 19689030
3-methoxy-3-phosphonopropanoic acid
CID 88757253
2-[hydroxy(methoxy)phosphoryl]butanedioic acid
CID 19418286
2-[1,2-dicarboxyethyl(hydroxy)phosphoryl]butanedioic acid
CID 18519476
2-methyl-3-phosphonopentanedioic acid
CID 19107762
3-hydroxy-4-phosphonobutanoic acid
CID 14010317
3-[(2-carboxy-1-phosphonoethyl)amino]-3-phosphonopropanoic acid
CID 90023765
3-methylbutanoic acid
CID 20849036
3-diethylphosphorylbutanoic acid
CID 87463268
(3S)-3-methoxybutanoic acid
CID 51374275
CID 87948469
CID 87948469
argon;3-methylbutanoic acid
CID 158006921

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(dimethylphosphoryl)propanoic acid?
The IUPAC name of 3,3-bis(dimethylphosphoryl)propanoic acid (CID 155820609) is 3,3-bis(dimethylphosphoryl)propanoic acid.
What is the SMILES notation for 3,3-bis(dimethylphosphoryl)propanoic acid?
The canonical SMILES for 3,3-bis(dimethylphosphoryl)propanoic acid is CP(C)(=O)C(CC(=O)O)P(C)(C)=O.
What is the InChIKey of 3,3-bis(dimethylphosphoryl)propanoic acid?
The InChIKey is QFMBYIFSEWOYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O4P2/c1-12(2,10)7(5-6(8)9)13(3,4)11/h7H,5H2,1-4H3,(H,8,9).
What are the key properties of 3,3-bis(dimethylphosphoryl)propanoic acid?
3,3-bis(dimethylphosphoryl)propanoic acid has a molecular weight of 226.15 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(dimethylphosphoryl)propanoic acid is sourced from PubChem (CID 155820609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).