3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid

C7H11O4P — CID 141058700

IUPAC3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid
SMILESC=C(C)C(=O)OCC(P)C(=O)O
InChIInChI=1S/C7H11O4P/c1-4(2)7(10)11-3-5(12)6(8)9/h5H,1,3,12H2,2H3,(H,8,9)
InChIKeyRYUJJEGZKIUDQU-UHFFFAOYSA-N
MW190.13 g/mol
LogP0.43
Rot. Bonds4

About 3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid

3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid (PubChem CID 141058700) has the molecular formula C7H11O4P and a molecular weight of 190.13 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid.

Molecular Properties

Compound Name3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid
PubChem CID141058700
Molecular FormulaC7H11O4P
Molecular Weight190.13 g/mol
Exact Mass190.04
IUPAC Name3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid
SMILESC=C(C)C(=O)OCC(P)C(=O)O
InChIInChI=1S/C7H11O4P/c1-4(2)7(10)11-3-5(12)6(8)9/h5H,1,3,12H2,2H3,(H,8,9)
InChIKeyRYUJJEGZKIUDQU-UHFFFAOYSA-N
XLogP0.43
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 50.43
H-Bond Donors ≤ 51
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

(2S)-2-amino-3-(2-methylprop-2-enoyloxy)propanoic acid
CID 24812035
2-(2-methylprop-2-enoyloxymethyl)butanedioic acid
CID 19370064
2-hydroxypropyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 87196210
[3-methoxy-2-(methoxymethyl)propyl] 2-methylprop-2-enoate
CID 58701380
2,3-dimethylbutyl 2-methylprop-2-enoate
CID 18361655
2,3,3-trimethoxypropyl 2-methylprop-2-enoate
CID 123499997
N,N-dimethylmethanamine;2-hydroxypropyl 2-methylprop-2-enoate;hydrochloride
CID 87121753
2,3-dihydroxybutyl 2-methylprop-2-enoate
CID 22149440
[(2S)-2-hydroxy-2-(2-methylprop-2-enoyloxy)ethyl] 2-methylprop-2-enoate
CID 88713969
4-(dimethylamino)-2,3-dimethyl-5-(2-methylprop-2-enoyloxy)pent-2-enoic acid
CID 175270583
2-[2-[2-[2-[2-[2-[2-[2-(2-methylprop-2-enoyloxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propyl 2-methylprop-2-enoate
CID 18762108
(3-hydroxy-2-nitrosopropyl) 2-methylprop-2-enoate
CID 89000252

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid?
The IUPAC name of 3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid (CID 141058700) is 3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid.
What is the SMILES notation for 3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid?
The canonical SMILES for 3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid is C=C(C)C(=O)OCC(P)C(=O)O.
What is the InChIKey of 3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid?
The InChIKey is RYUJJEGZKIUDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11O4P/c1-4(2)7(10)11-3-5(12)6(8)9/h5H,1,3,12H2,2H3,(H,8,9).
What are the key properties of 3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid?
3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid has a molecular weight of 190.13 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoyloxy)-2-phosphanylpropanoic acid is sourced from PubChem (CID 141058700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).