hydron;2-methoxycarbonylprop-2-enoic acid

C5H7O4+ — CID 174487100

IUPAChydron;2-methoxycarbonylprop-2-enoic acid
SMILESC=C(C(=O)O)C(=O)OC.[H+]
InChIInChI=1S/C5H6O4/c1-3(4(6)7)5(8)9-2/h1H2,2H3,(H,6,7)/p+1
InChIKeyCEGNSGUBWZXFOV-UHFFFAOYSA-O
MW131.11 g/mol
LogP-0.09
Rot. Bonds2

About hydron;2-methoxycarbonylprop-2-enoic acid

hydron;2-methoxycarbonylprop-2-enoic acid (PubChem CID 174487100) has the molecular formula C5H7O4+ and a molecular weight of 131.11 g/mol. Its IUPAC name is hydron;2-methoxycarbonylprop-2-enoic acid.

Molecular Properties

Compound Namehydron;2-methoxycarbonylprop-2-enoic acid
PubChem CID174487100
Molecular FormulaC5H7O4+
Molecular Weight131.11 g/mol
Exact Mass131.03
IUPAC Namehydron;2-methoxycarbonylprop-2-enoic acid
SMILESC=C(C(=O)O)C(=O)OC.[H+]
InChIInChI=1S/C5H6O4/c1-3(4(6)7)5(8)9-2/h1H2,2H3,(H,6,7)/p+1
InChIKeyCEGNSGUBWZXFOV-UHFFFAOYSA-O
XLogP-0.09
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.11
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Related Compounds

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CID 54697656
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Frequently Asked Questions

What is the IUPAC name of hydron;2-methoxycarbonylprop-2-enoic acid?
The IUPAC name of hydron;2-methoxycarbonylprop-2-enoic acid (CID 174487100) is hydron;2-methoxycarbonylprop-2-enoic acid.
What is the SMILES notation for hydron;2-methoxycarbonylprop-2-enoic acid?
The canonical SMILES for hydron;2-methoxycarbonylprop-2-enoic acid is C=C(C(=O)O)C(=O)OC.[H+].
What is the InChIKey of hydron;2-methoxycarbonylprop-2-enoic acid?
The InChIKey is CEGNSGUBWZXFOV-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H6O4/c1-3(4(6)7)5(8)9-2/h1H2,2H3,(H,6,7)/p+1.
What are the key properties of hydron;2-methoxycarbonylprop-2-enoic acid?
hydron;2-methoxycarbonylprop-2-enoic acid has a molecular weight of 131.11 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;2-methoxycarbonylprop-2-enoic acid is sourced from PubChem (CID 174487100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).