4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid

C11H16N2O2 — CID 116938337

IUPAC4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid
SMILESCC(C)(CC(=O)O)C(N)c1ccncc1
InChIInChI=1S/C11H16N2O2/c1-11(2,7-9(14)15)10(12)8-3-5-13-6-4-8/h3-6,10H,7,12H2,1-2H3,(H,14,15)
InChIKeySOVXIIOXKAPPSQ-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.58
Rot. Bonds4

About 4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid

4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid (PubChem CID 116938337) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid.

Molecular Properties

Compound Name4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid
PubChem CID116938337
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid
SMILESCC(C)(CC(=O)O)C(N)c1ccncc1
InChIInChI=1S/C11H16N2O2/c1-11(2,7-9(14)15)10(12)8-3-5-13-6-4-8/h3-6,10H,7,12H2,1-2H3,(H,14,15)
InChIKeySOVXIIOXKAPPSQ-UHFFFAOYSA-N
XLogP1.58
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-amino-3,3-dimethyl-4-pyridin-4-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

(1S)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine
CID 94424618
(1R)-2,2-dimethyl-1-pyridin-4-ylpropan-1-amine;hydrochloride
CID 171246376
4-amino-4-(4-fluoro-3-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938269
4-amino-3,3-dimethyl-4-(2,3,5,6-tetramethylphenyl)butanoic acid
CID 116938292
4-amino-4-(4-ethoxy-3-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938298
3,3-dimethyl-4-(pyridin-4-ylamino)butanoic acid
CID 115220231
[(3S)-3-hydroxy-2,2-dimethyl-3-pyridin-4-ylpropyl] acetate
CID 132541644
(4R)-4-amino-4-pyridin-4-ylbutanoic acid;dihydrochloride
CID 171338117
4-amino-4-(5-bromo-2-methylphenyl)-3,3-dimethylbutanoic acid
CID 116938329
2-amino-2-pyridin-4-ylacetic acid;hydrochloride
CID 42614333
4-[(1R)-1-amino-3-hydroxy-2,2-dimethylpropyl]benzoic acid;hydrochloride
CID 171238857
(2S,4S)-2-amino-4-[hydroxy(pyridin-4-yl)methyl]pentanedioic acid
CID 135783884

Frequently Asked Questions

What is the IUPAC name of 4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid?
The IUPAC name of 4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid (CID 116938337) is 4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid.
What is the SMILES notation for 4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid?
The canonical SMILES for 4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid is CC(C)(CC(=O)O)C(N)c1ccncc1.
What is the InChIKey of 4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid?
The InChIKey is SOVXIIOXKAPPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,7-9(14)15)10(12)8-3-5-13-6-4-8/h3-6,10H,7,12H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid?
4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3,3-dimethyl-4-pyridin-4-ylbutanoic acid is sourced from PubChem (CID 116938337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).