methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid

C6H9NO3 — CID 87773746

IUPACmethanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid
SMILESCOC=C(C)C(=O)O.[C-]#[NH+]
InChIInChI=1S/C5H8O3.CHN/c1-4(3-8-2)5(6)7;1-2/h3H,1-2H3,(H,6,7);2H
InChIKeyIHQXFKPYNGPKCM-UHFFFAOYSA-N
MW143.14 g/mol
LogP-1.03
Rot. Bonds2

About methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid

methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid (PubChem CID 87773746) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid.

Molecular Properties

Compound Namemethanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid
PubChem CID87773746
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Namemethanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid
SMILESCOC=C(C)C(=O)O.[C-]#[NH+]
InChIInChI=1S/C5H8O3.CHN/c1-4(3-8-2)5(6)7;1-2/h3H,1-2H3,(H,6,7);2H
InChIKeyIHQXFKPYNGPKCM-UHFFFAOYSA-N
XLogP-1.03
TPSA70.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-2-methylprop-2-enoic acid;2-methylprop-2-enoic acid
CID 160866094
(E)-2-methyl-3-silyloxyprop-2-enoic acid
CID 173096363
silyl 3-methoxy-2-methylprop-2-enoate
CID 123873390
(E)-2-methyl-3-trimethylsilyloxyprop-2-enoic acid
CID 131356298
(E)-1,1,1-trifluoro-4-methoxy-3-methylbut-3-en-2-one
CID 15470657
3-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylprop-2-enoic acid
CID 173082103
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylprop-2-enoic acid
CID 56998613
(E)-2-acetamido-3-methoxyprop-2-enoic acid
CID 5369242
(E)-2-methyl-3-(2,2,2-trifluoroacetyl)oxyprop-2-enoic acid
CID 88636175
3-[3-(2-carboxyprop-1-enoxy)-2-hydroxypropoxy]-2-methylprop-2-enoic acid
CID 87559125
(E)-4,4-dimethoxy-2-methylbut-2-enoic acid
CID 87276147
(E)-2-methylbut-2-enoic acid;hydrochloride
CID 87583281

Frequently Asked Questions

What is the IUPAC name of methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid?
The IUPAC name of methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid (CID 87773746) is methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid.
What is the SMILES notation for methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid?
The canonical SMILES for methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid is COC=C(C)C(=O)O.[C-]#[NH+].
What is the InChIKey of methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid?
The InChIKey is IHQXFKPYNGPKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.CHN/c1-4(3-8-2)5(6)7;1-2/h3H,1-2H3,(H,6,7);2H.
What are the key properties of methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid?
methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid has a molecular weight of 143.14 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanidylidyneazanium;3-methoxy-2-methylprop-2-enoic acid is sourced from PubChem (CID 87773746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).