2-methyl-2-phosphonopropanoic acid

C4H9O5P — CID 14366342

IUPAC2-methyl-2-phosphonopropanoic acid
SMILESCC(C)(C(=O)O)P(=O)(O)O
InChIInChI=1S/C4H9O5P/c1-4(2,3(5)6)10(7,8)9/h1-2H3,(H,5,6)(H2,7,8,9)
InChIKeyXQYRPBCOMLASMG-UHFFFAOYSA-N
MW168.08 g/mol
LogP0.03
Rot. Bonds2

About 2-methyl-2-phosphonopropanoic acid

2-methyl-2-phosphonopropanoic acid (PubChem CID 14366342) has the molecular formula C4H9O5P and a molecular weight of 168.08 g/mol. Its IUPAC name is 2-methyl-2-phosphonopropanoic acid.

Molecular Properties

Compound Name2-methyl-2-phosphonopropanoic acid
PubChem CID14366342
Molecular FormulaC4H9O5P
Molecular Weight168.08 g/mol
Exact Mass168.02
IUPAC Name2-methyl-2-phosphonopropanoic acid
SMILESCC(C)(C(=O)O)P(=O)(O)O
InChIInChI=1S/C4H9O5P/c1-4(2,3(5)6)10(7,8)9/h1-2H3,(H,5,6)(H2,7,8,9)
InChIKeyXQYRPBCOMLASMG-UHFFFAOYSA-N
XLogP0.03
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.08
LogP ≤ 50.03
H-Bond Donors ≤ 53
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 2-methyl-2-phosphonopropanoic acid?
The IUPAC name of 2-methyl-2-phosphonopropanoic acid (CID 14366342) is 2-methyl-2-phosphonopropanoic acid.
What is the SMILES notation for 2-methyl-2-phosphonopropanoic acid?
The canonical SMILES for 2-methyl-2-phosphonopropanoic acid is CC(C)(C(=O)O)P(=O)(O)O.
What is the InChIKey of 2-methyl-2-phosphonopropanoic acid?
The InChIKey is XQYRPBCOMLASMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O5P/c1-4(2,3(5)6)10(7,8)9/h1-2H3,(H,5,6)(H2,7,8,9).
What are the key properties of 2-methyl-2-phosphonopropanoic acid?
2-methyl-2-phosphonopropanoic acid has a molecular weight of 168.08 g/mol, XLogP of 0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-phosphonopropanoic acid is sourced from PubChem (CID 14366342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).