4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid

C11H16N2O2 — CID 84676112

IUPAC4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid
SMILESCc1nccc(C(CN)CC(=O)O)c1C
InChIInChI=1S/C11H16N2O2/c1-7-8(2)13-4-3-10(7)9(6-12)5-11(14)15/h3-4,9H,5-6,12H2,1-2H3,(H,14,15)
InChIKeyIWLZSUIPYXIVDO-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.22
Rot. Bonds4

About 4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid

4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid (PubChem CID 84676112) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid.

Molecular Properties

Compound Name4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid
PubChem CID84676112
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid
SMILESCc1nccc(C(CN)CC(=O)O)c1C
InChIInChI=1S/C11H16N2O2/c1-7-8(2)13-4-3-10(7)9(6-12)5-11(14)15/h3-4,9H,5-6,12H2,1-2H3,(H,14,15)
InChIKeyIWLZSUIPYXIVDO-UHFFFAOYSA-N
XLogP1.22
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 ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-(2-methylfuran-3-yl)butanoic acid
CID 82601605
4-amino-3-(1,5-dimethylpyrazol-4-yl)butanoic acid
CID 79595352
4-amino-3-(2-fluoro-5-hydroxy-4-methylphenyl)butanoic acid
CID 84791306
4-amino-3-(3-methylfuran-2-yl)butanoic acid
CID 82601627
4-amino-3-pyrimidin-4-ylbutanoic acid
CID 66097677
4-amino-3-(4-methoxy-2-methylphenyl)butanoic acid
CID 82617488
(3R)-4-amino-3-(2-fluorophenyl)butanoic acid
CID 55275306
3-amino-3-(2,3-dimethyl-4-pyridinyl)propan-1-ol
CID 84657502
4-amino-3-(2-tert-butylphenyl)butanoic acid
CID 84797586
4-amino-3-(3-fluoro-2-pyridinyl)butanoic acid
CID 84668127
4-amino-3-(1H-pyrazol-5-yl)butanoic acid
CID 82597943
4-amino-3-(3-bromo-2-hydroxyphenyl)butanoic acid
CID 82626071

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid?
The IUPAC name of 4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid (CID 84676112) is 4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid.
What is the SMILES notation for 4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid?
The canonical SMILES for 4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid is Cc1nccc(C(CN)CC(=O)O)c1C.
What is the InChIKey of 4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid?
The InChIKey is IWLZSUIPYXIVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-7-8(2)13-4-3-10(7)9(6-12)5-11(14)15/h3-4,9H,5-6,12H2,1-2H3,(H,14,15).
What are the key properties of 4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid?
4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(2,3-dimethyl-4-pyridinyl)butanoic acid is sourced from PubChem (CID 84676112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).