4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid

C11H16N2O2 — CID 116938534

IUPAC4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid
SMILESCC(C)(CC(N)c1cccnc1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-11(2,10(14)15)6-9(12)8-4-3-5-13-7-8/h3-5,7,9H,6,12H2,1-2H3,(H,14,15)
InChIKeyWTMYXACJLBAYJP-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.58
Rot. Bonds4

About 4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid

4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid (PubChem CID 116938534) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid.

Molecular Properties

Compound Name4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid
PubChem CID116938534
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid
SMILESCC(C)(CC(N)c1cccnc1)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-11(2,10(14)15)6-9(12)8-4-3-5-13-7-8/h3-5,7,9H,6,12H2,1-2H3,(H,14,15)
InChIKeyWTMYXACJLBAYJP-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

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Related Compounds

(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
2,2-dimethyl-4-oxo-4-[[(1S)-1-pyridin-3-ylethyl]amino]butanoic acid
CID 81407790
(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
CID 103689442
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
2-amino-2-pyridin-3-ylethanol
CID 2734590
2-amino-3-[[(1R)-1-pyridin-3-ylethyl]amino]propanoic acid
CID 103258248
ethyl (3S)-3-amino-3-pyridin-3-ylpropanoate;dihydrochloride
CID 44891224
3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 62602759
2-[[(1S)-1-pyridin-3-ylethyl]sulfamoyl]acetic acid
CID 81406791
(4R)-4-amino-4-pyridin-3-ylbutan-2-one;(2R,3S)-2,3-dihydroxybutanedioic acid;methane;sulfane
CID 160853710
3,4-diamino-4-pyridin-3-ylbutanoic acid
CID 116942862
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid?
The IUPAC name of 4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid (CID 116938534) is 4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid.
What is the SMILES notation for 4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid?
The canonical SMILES for 4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid is CC(C)(CC(N)c1cccnc1)C(=O)O.
What is the InChIKey of 4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid?
The InChIKey is WTMYXACJLBAYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,10(14)15)6-9(12)8-4-3-5-13-7-8/h3-5,7,9H,6,12H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-2,2-dimethyl-4-pyridin-3-ylbutanoic acid?
4-amino-2,2-dimethyl-4-pyridin-3-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-2,2-dimethyl-4-pyridin-3-ylbutanoic acid is sourced from PubChem (CID 116938534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).