3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid

C12H18N2O2 — CID 116953575

IUPAC3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid
SMILESCNC(c1ccccn1)C(C)(C)CC(=O)O
InChIInChI=1S/C12H18N2O2/c1-12(2,8-10(15)16)11(13-3)9-6-4-5-7-14-9/h4-7,11,13H,8H2,1-3H3,(H,15,16)
InChIKeyYTTZDEHAPVYCAN-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.84
Rot. Bonds5

About 3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid

3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid (PubChem CID 116953575) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid
PubChem CID116953575
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid
SMILESCNC(c1ccccn1)C(C)(C)CC(=O)O
InChIInChI=1S/C12H18N2O2/c1-12(2,8-10(15)16)11(13-3)9-6-4-5-7-14-9/h4-7,11,13H,8H2,1-3H3,(H,15,16)
InChIKeyYTTZDEHAPVYCAN-UHFFFAOYSA-N
XLogP1.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid 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-(2-fluorophenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953572
5,5-dimethyl-3-pyridin-2-ylhexanoic acid
CID 71168510
N-tert-butyl-2-phenyl-2-pyridin-2-ylacetamide
CID 110373379
4-[methylamino(pyridin-2-yl)methyl]benzoic acid
CID 116953941
2,2-dimethyl-N-[2-(methylamino)-2-pyridin-2-ylethyl]-N-phenylpropanamide
CID 22414373
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
2-(methylamino)-2-pyridin-2-ylacetamide
CID 82111263
5-(tert-butylamino)-5-oxo-4-pyridin-2-ylpentanoic acid
CID 112517228
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
4-(2,5-dimethylphenyl)-3,3-dimethyl-4-(methylamino)butanoic acid
CID 116953536
2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid
CID 79268256
2,2-dimethyl-N-(2-phenyl-2-pyridin-2-ylethyl)propanamide
CID 16927739

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid?
The IUPAC name of 3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid (CID 116953575) is 3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid.
What is the SMILES notation for 3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid?
The canonical SMILES for 3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid is CNC(c1ccccn1)C(C)(C)CC(=O)O.
What is the InChIKey of 3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid?
The InChIKey is YTTZDEHAPVYCAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-12(2,8-10(15)16)11(13-3)9-6-4-5-7-14-9/h4-7,11,13H,8H2,1-3H3,(H,15,16).
What are the key properties of 3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid?
3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(methylamino)-4-pyridin-2-ylbutanoic acid is sourced from PubChem (CID 116953575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).