2-carboxyprop-2-enyl(dimethyl)azanium

C6H12NO2+ — CID 134854492

IUPAC2-carboxyprop-2-enyl(dimethyl)azanium
SMILESC=C(C[NH+](C)C)C(=O)O
InChIInChI=1S/C6H11NO2/c1-5(6(8)9)4-7(2)3/h1,4H2,2-3H3,(H,8,9)/p+1
InChIKeyGANOKKCPYBWVRC-UHFFFAOYSA-O
MW130.17 g/mol
LogP-1.23
Rot. Bonds3

About 2-carboxyprop-2-enyl(dimethyl)azanium

2-carboxyprop-2-enyl(dimethyl)azanium (PubChem CID 134854492) has the molecular formula C6H12NO2+ and a molecular weight of 130.17 g/mol. Its IUPAC name is 2-carboxyprop-2-enyl(dimethyl)azanium.

Molecular Properties

Compound Name2-carboxyprop-2-enyl(dimethyl)azanium
PubChem CID134854492
Molecular FormulaC6H12NO2+
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name2-carboxyprop-2-enyl(dimethyl)azanium
SMILESC=C(C[NH+](C)C)C(=O)O
InChIInChI=1S/C6H11NO2/c1-5(6(8)9)4-7(2)3/h1,4H2,2-3H3,(H,8,9)/p+1
InChIKeyGANOKKCPYBWVRC-UHFFFAOYSA-O
XLogP-1.23
TPSA41.74 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 5-1.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carboxyprop-2-enyl(dimethyl)azanium?
The IUPAC name of 2-carboxyprop-2-enyl(dimethyl)azanium (CID 134854492) is 2-carboxyprop-2-enyl(dimethyl)azanium.
What is the SMILES notation for 2-carboxyprop-2-enyl(dimethyl)azanium?
The canonical SMILES for 2-carboxyprop-2-enyl(dimethyl)azanium is C=C(C[NH+](C)C)C(=O)O.
What is the InChIKey of 2-carboxyprop-2-enyl(dimethyl)azanium?
The InChIKey is GANOKKCPYBWVRC-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H11NO2/c1-5(6(8)9)4-7(2)3/h1,4H2,2-3H3,(H,8,9)/p+1.
What are the key properties of 2-carboxyprop-2-enyl(dimethyl)azanium?
2-carboxyprop-2-enyl(dimethyl)azanium has a molecular weight of 130.17 g/mol, XLogP of -1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxyprop-2-enyl(dimethyl)azanium is sourced from PubChem (CID 134854492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).