2-(dimethylamino)propanoic acid;4-ethenylpyridine

C12H18N2O2 — CID 174623561

IUPAC2-(dimethylamino)propanoic acid;4-ethenylpyridine
SMILESC=Cc1ccncc1.CC(C(=O)O)N(C)C
InChIInChI=1S/C7H7N.C5H11NO2/c1-2-7-3-5-8-6-4-7;1-4(5(7)8)6(2)3/h2-6H,1H2;4H,1-3H3,(H,7,8)
InChIKeyZMVXNQIVLZKJGU-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.75
Rot. Bonds3

About 2-(dimethylamino)propanoic acid;4-ethenylpyridine

2-(dimethylamino)propanoic acid;4-ethenylpyridine (PubChem CID 174623561) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-(dimethylamino)propanoic acid;4-ethenylpyridine.

Molecular Properties

Compound Name2-(dimethylamino)propanoic acid;4-ethenylpyridine
PubChem CID174623561
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-(dimethylamino)propanoic acid;4-ethenylpyridine
SMILESC=Cc1ccncc1.CC(C(=O)O)N(C)C
InChIInChI=1S/C7H7N.C5H11NO2/c1-2-7-3-5-8-6-4-7;1-4(5(7)8)6(2)3/h2-6H,1H2;4H,1-3H3,(H,7,8)
InChIKeyZMVXNQIVLZKJGU-UHFFFAOYSA-N
XLogP1.75
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(dimethylamino)propanoic acid;4-ethenylpyridine 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

4-ethenylpyridine;2-hydroxypropanoate
CID 21427738
benzene;bis(4-ethenylpyridine)
CID 175139970
4-ethenylpyridine;nitroxyl
CID 157255604
4-ethenylpyridine;trihydrobromide
CID 67161394
4-ethenylpyridine;nitrous acid
CID 174851226
4-ethenylpyridine;ethyl carbamate
CID 174889684
(2R)-2-(dimethylamino)-2-pyridin-4-ylacetic acid
CID 66718288
2-(dimethylamino)propanoic acid;4-(2-prop-2-enylimidazol-1-yl)but-2-enoic acid
CID 174675191
2-[cyclopropyl(pyridine-4-carbonyl)amino]propanoic acid
CID 119203438
2-(dimethylamino)propanoic acid;prop-2-enyl dihydrogen phosphate
CID 174397830
2-[methyl(2-pyridin-4-ylethylcarbamoyl)amino]propanoic acid
CID 62639385
2-[[ethyl(pyridin-4-ylmethyl)carbamoyl]-methylamino]propanoic acid
CID 62637760

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)propanoic acid;4-ethenylpyridine?
The IUPAC name of 2-(dimethylamino)propanoic acid;4-ethenylpyridine (CID 174623561) is 2-(dimethylamino)propanoic acid;4-ethenylpyridine.
What is the SMILES notation for 2-(dimethylamino)propanoic acid;4-ethenylpyridine?
The canonical SMILES for 2-(dimethylamino)propanoic acid;4-ethenylpyridine is C=Cc1ccncc1.CC(C(=O)O)N(C)C.
What is the InChIKey of 2-(dimethylamino)propanoic acid;4-ethenylpyridine?
The InChIKey is ZMVXNQIVLZKJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N.C5H11NO2/c1-2-7-3-5-8-6-4-7;1-4(5(7)8)6(2)3/h2-6H,1H2;4H,1-3H3,(H,7,8).
What are the key properties of 2-(dimethylamino)propanoic acid;4-ethenylpyridine?
2-(dimethylamino)propanoic acid;4-ethenylpyridine has a molecular weight of 222.29 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)propanoic acid;4-ethenylpyridine is sourced from PubChem (CID 174623561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).