3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid

C7H13O5P — CID 174534133

IUPAC3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid
SMILESCCCOP(=O)(O)C=C(C)C(=O)O
InChIInChI=1S/C7H13O5P/c1-3-4-12-13(10,11)5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyYODVKLBHECTPRH-UHFFFAOYSA-N
MW208.15 g/mol
LogP1.59
Rot. Bonds5

About 3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid

3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid (PubChem CID 174534133) has the molecular formula C7H13O5P and a molecular weight of 208.15 g/mol. Its IUPAC name is 3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid
PubChem CID174534133
Molecular FormulaC7H13O5P
Molecular Weight208.15 g/mol
Exact Mass208.05
IUPAC Name3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid
SMILESCCCOP(=O)(O)C=C(C)C(=O)O
InChIInChI=1S/C7H13O5P/c1-3-4-12-13(10,11)5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyYODVKLBHECTPRH-UHFFFAOYSA-N
XLogP1.59
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.15
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3-methoxy-2-methyl-3-oxoprop-1-enyl)-propoxyphosphinic acid
CID 139781457
3-diethoxyphosphoryl-2-methylprop-2-enoic acid
CID 71398288
5-dibutoxyphosphoryl-2-methylpent-2-enoic acid
CID 91588552
(Z)-2-methyl-4-oxo-4-propoxybut-2-enoic acid
CID 87197934
2,5-dimethyl-6-oxo-6-propoxyhexa-2,4-dienoic acid
CID 174410036
2-methyl-5-(2-propoxyethoxy)pent-2-enoic acid
CID 123853620
propyl dihydrogen phosphate;urea
CID 88818408
dipropoxyphosphorylmethylphosphonic acid
CID 57255852
(E)-5-hydroxy-2-methylpent-2-enoic acid;phosphoric acid
CID 87164538
3-dipropoxyphosphorylpropanoic acid
CID 34250012
N-acetyl-propoxyphosphonamidic acid
CID 146414969
CID 158703292
CID 158703292

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid?
The IUPAC name of 3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid (CID 174534133) is 3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid?
The canonical SMILES for 3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid is CCCOP(=O)(O)C=C(C)C(=O)O.
What is the InChIKey of 3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid?
The InChIKey is YODVKLBHECTPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13O5P/c1-3-4-12-13(10,11)5-6(2)7(8)9/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid?
3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid has a molecular weight of 208.15 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(propoxy)phosphoryl]-2-methylprop-2-enoic acid is sourced from PubChem (CID 174534133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).