3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid

C10H14N2O2 — CID 156541138

IUPAC3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccnc(N)c1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-10(2,9(13)14)6-7-3-4-12-8(11)5-7/h3-5H,6H2,1-2H3,(H2,11,12)(H,13,14)
InChIKeyIIVLFJBAUFXNLJ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.32
Rot. Bonds3

About 3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid

3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid (PubChem CID 156541138) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid
PubChem CID156541138
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid
SMILESCC(C)(Cc1ccnc(N)c1)C(=O)O
InChIInChI=1S/C10H14N2O2/c1-10(2,9(13)14)6-7-3-4-12-8(11)5-7/h3-5H,6H2,1-2H3,(H2,11,12)(H,13,14)
InChIKeyIIVLFJBAUFXNLJ-UHFFFAOYSA-N
XLogP1.32
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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-amino-4-pyridinyl)phenyl]-2,2-dimethylpropanoic acid
CID 156541095
1-(2-amino-4-pyridinyl)-2-methylhex-5-en-2-ol
CID 104656322
4-[(4-amino-2-fluorophenyl)methyl]pyridin-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 162330923
(2-amino-4-pyridinyl)methyl propanoate
CID 166101515
1-(2-amino-4-pyridinyl)-3-methylbut-3-en-2-one
CID 103446347
ethane;4-ethylpyridin-2-amine
CID 144736585
3-amino-1-(2-amino-4-pyridinyl)hexan-2-one
CID 116554635
3-(3-iodophenyl)-2,2-dimethylpropanoic acid
CID 138508187
2,2-dimethyl-3-[3-(2,2,2-trifluoroethyl)phenyl]propanoic acid
CID 117404459
3-(2-amino-4-pyridinyl)-1,1-dimethoxypropan-2-one
CID 79492824
3-[4-fluoro-3-(hydroxymethyl)phenyl]-2,2-dimethylpropanoic acid
CID 117325421
3-amino-3-(2-amino-4-pyridinyl)butanoic acid
CID 55268845

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid?
The IUPAC name of 3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid (CID 156541138) is 3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid is CC(C)(Cc1ccnc(N)c1)C(=O)O.
What is the InChIKey of 3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid?
The InChIKey is IIVLFJBAUFXNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-10(2,9(13)14)6-7-3-4-12-8(11)5-7/h3-5H,6H2,1-2H3,(H2,11,12)(H,13,14).
What are the key properties of 3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid?
3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-pyridinyl)-2,2-dimethylpropanoic acid is sourced from PubChem (CID 156541138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).