3-methoxy-3-phosphonopropanoic acid

C4H9O6P — CID 88757253

IUPAC3-methoxy-3-phosphonopropanoic acid
SMILESCOC(CC(=O)O)P(=O)(O)O
InChIInChI=1S/C4H9O6P/c1-10-4(2-3(5)6)11(7,8)9/h4H,2H2,1H3,(H,5,6)(H2,7,8,9)
InChIKeyONGOACWWGNEKHN-UHFFFAOYSA-N
MW184.08 g/mol
LogP-0.39
Rot. Bonds4

About 3-methoxy-3-phosphonopropanoic acid

3-methoxy-3-phosphonopropanoic acid (PubChem CID 88757253) has the molecular formula C4H9O6P and a molecular weight of 184.08 g/mol. Its IUPAC name is 3-methoxy-3-phosphonopropanoic acid.

Molecular Properties

Compound Name3-methoxy-3-phosphonopropanoic acid
PubChem CID88757253
Molecular FormulaC4H9O6P
Molecular Weight184.08 g/mol
Exact Mass184.01
IUPAC Name3-methoxy-3-phosphonopropanoic acid
SMILESCOC(CC(=O)O)P(=O)(O)O
InChIInChI=1S/C4H9O6P/c1-10-4(2-3(5)6)11(7,8)9/h4H,2H2,1H3,(H,5,6)(H2,7,8,9)
InChIKeyONGOACWWGNEKHN-UHFFFAOYSA-N
XLogP-0.39
TPSA104.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.08
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-bis(dimethylphosphoryl)propanoic acid
CID 155820609
(3S)-3-methoxybutanoic acid
CID 51374275
2-[hydroxy(methoxy)phosphoryl]butanedioic acid
CID 19418286
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
[methoxy(phosphono)methyl]phosphonic acid
CID 12578053
2-(dimethoxymethyl)butanedioic acid
CID 139917524
6-methoxy-3,4-dimethylhexanoic acid
CID 116500421
(3S)-3-methoxyhexanedioic acid
CID 12636073
5-methoxy-3-methylhexanoic acid
CID 150312715
(3R)-3,5-dimethoxy-5-oxopentanoic acid
CID 14895219

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-phosphonopropanoic acid?
The IUPAC name of 3-methoxy-3-phosphonopropanoic acid (CID 88757253) is 3-methoxy-3-phosphonopropanoic acid.
What is the SMILES notation for 3-methoxy-3-phosphonopropanoic acid?
The canonical SMILES for 3-methoxy-3-phosphonopropanoic acid is COC(CC(=O)O)P(=O)(O)O.
What is the InChIKey of 3-methoxy-3-phosphonopropanoic acid?
The InChIKey is ONGOACWWGNEKHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O6P/c1-10-4(2-3(5)6)11(7,8)9/h4H,2H2,1H3,(H,5,6)(H2,7,8,9).
What are the key properties of 3-methoxy-3-phosphonopropanoic acid?
3-methoxy-3-phosphonopropanoic acid has a molecular weight of 184.08 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-phosphonopropanoic acid is sourced from PubChem (CID 88757253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).