azanium;2-methylprop-2-enoic acid;prop-2-enoate

C7H13NO4 — CID 22463637

IUPACazanium;2-methylprop-2-enoic acid;prop-2-enoate
SMILESC=C(C)C(=O)O.C=CC(=O)[O-].[NH4+]
InChIInChI=1S/C4H6O2.C3H4O2.H3N/c1-3(2)4(5)6;1-2-3(4)5;/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);1H3
InChIKeyPGILNAFSVPYISH-UHFFFAOYSA-N
MW175.18 g/mol
LogP-0.05
Rot. Bonds2

About azanium;2-methylprop-2-enoic acid;prop-2-enoate

azanium;2-methylprop-2-enoic acid;prop-2-enoate (PubChem CID 22463637) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is azanium;2-methylprop-2-enoic acid;prop-2-enoate.

Molecular Properties

Compound Nameazanium;2-methylprop-2-enoic acid;prop-2-enoate
PubChem CID22463637
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Nameazanium;2-methylprop-2-enoic acid;prop-2-enoate
SMILESC=C(C)C(=O)O.C=CC(=O)[O-].[NH4+]
InChIInChI=1S/C4H6O2.C3H4O2.H3N/c1-3(2)4(5)6;1-2-3(4)5;/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);1H3
InChIKeyPGILNAFSVPYISH-UHFFFAOYSA-N
XLogP-0.05
TPSA113.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze azanium;2-methylprop-2-enoic acid;prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethene;2-methylprop-2-enoic acid
CID 168263
Acrylic acid methacrylic acid
CID 11600707
Azane;2-methylprop-2-enoic acid
CID 13981644
2-propenoic acid, 2-methyl-, telomer with 2-propenoic acid and sodium hydrogen sulfite, sodium salt
CID 23674288
Methacrylic acid-acetic acid
CID 21426946
Butadiene-methacrylic acid
CID 21863074
Methacrylate water
CID 22995068
(Z)-but-2-enedioic acid;2-methylprop-2-enoic acid
CID 87099776
Amine dimethacrylate
CID 87148679
Propionic acid methacrylic acid
CID 87268854
Ethene;2-methylprop-2-enoic acid;prop-2-enoic acid
CID 87273953
2-Methylprop-2-enoic acid;prop-1-ene
CID 87506350

Frequently Asked Questions

What is the IUPAC name of azanium;2-methylprop-2-enoic acid;prop-2-enoate?
The IUPAC name of azanium;2-methylprop-2-enoic acid;prop-2-enoate (CID 22463637) is azanium;2-methylprop-2-enoic acid;prop-2-enoate.
What is the SMILES notation for azanium;2-methylprop-2-enoic acid;prop-2-enoate?
The canonical SMILES for azanium;2-methylprop-2-enoic acid;prop-2-enoate is C=C(C)C(=O)O.C=CC(=O)[O-].[NH4+].
What is the InChIKey of azanium;2-methylprop-2-enoic acid;prop-2-enoate?
The InChIKey is PGILNAFSVPYISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.C3H4O2.H3N/c1-3(2)4(5)6;1-2-3(4)5;/h1H2,2H3,(H,5,6);2H,1H2,(H,4,5);1H3.
What are the key properties of azanium;2-methylprop-2-enoic acid;prop-2-enoate?
azanium;2-methylprop-2-enoic acid;prop-2-enoate has a molecular weight of 175.18 g/mol, XLogP of -0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;2-methylprop-2-enoic acid;prop-2-enoate is sourced from PubChem (CID 22463637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).