3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid

C10H14N2O2 — CID 55296014

IUPAC3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
SMILESCc1ccc(C(N)CC(=O)O)c(C)n1
InChIInChI=1S/C10H14N2O2/c1-6-3-4-8(7(2)12-6)9(11)5-10(13)14/h3-4,9H,5,11H2,1-2H3,(H,13,14)
InChIKeyRIJIMGUSLQZAMB-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.17
Rot. Bonds3

About 3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid

3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid (PubChem CID 55296014) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
PubChem CID55296014
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid
SMILESCc1ccc(C(N)CC(=O)O)c(C)n1
InChIInChI=1S/C10H14N2O2/c1-6-3-4-8(7(2)12-6)9(11)5-10(13)14/h3-4,9H,5,11H2,1-2H3,(H,13,14)
InChIKeyRIJIMGUSLQZAMB-UHFFFAOYSA-N
XLogP1.17
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-amino-2-(2,6-dimethyl-3-pyridinyl)ethanol
CID 96740448
1-(2,6-dimethyl-3-pyridinyl)-3-methylidenepentan-1-amine
CID 105163949
(3R)-3-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55293917
(1S)-1-(2,6-dimethyl-3-pyridinyl)-2-methoxyethanamine
CID 55294133
(3R)-3-amino-3-(6-bromo-2-chloro-3-pyridinyl)propanoic acid
CID 130627537
(3R)-3-amino-3-(2-amino-6-chloro-3-pyridinyl)propanoic acid
CID 131038076
(1R,2S)-1-amino-1-(2,6-dimethyl-3-pyridinyl)propan-2-ol
CID 55292437
1-(2,6-dimethyl-3-pyridinyl)pent-3-yn-1-amine
CID 105112231
(3S)-3-amino-3-(5-fluoro-6-methyl-2-pyridinyl)propanoic acid
CID 55271961
3-amino-3-(2-methyl-4-methylsulfanylphenyl)propanoic acid
CID 117324132
bis(2,6-dimethyl-3-pyridinyl)methanol
CID 141423650
(3S)-3-amino-3-(2,4-dihydroxyphenyl)propanoic acid
CID 9152250

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid?
The IUPAC name of 3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid (CID 55296014) is 3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid?
The canonical SMILES for 3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid is Cc1ccc(C(N)CC(=O)O)c(C)n1.
What is the InChIKey of 3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid?
The InChIKey is RIJIMGUSLQZAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-6-3-4-8(7(2)12-6)9(11)5-10(13)14/h3-4,9H,5,11H2,1-2H3,(H,13,14).
What are the key properties of 3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid?
3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2,6-dimethyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 55296014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).