2-amino-2-(4-methyl-3-pyridinyl)propanoic acid

C9H12N2O2 — CID 55292841

IUPAC2-amino-2-(4-methyl-3-pyridinyl)propanoic acid
SMILESCc1ccncc1C(C)(N)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6-3-4-11-5-7(6)9(2,10)8(12)13/h3-5H,10H2,1-2H3,(H,12,13)
InChIKeyMAIYHODYHJEBKV-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.65
Rot. Bonds2

About 2-amino-2-(4-methyl-3-pyridinyl)propanoic acid

2-amino-2-(4-methyl-3-pyridinyl)propanoic acid (PubChem CID 55292841) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-2-(4-methyl-3-pyridinyl)propanoic acid.

Molecular Properties

Compound Name2-amino-2-(4-methyl-3-pyridinyl)propanoic acid
PubChem CID55292841
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-amino-2-(4-methyl-3-pyridinyl)propanoic acid
SMILESCc1ccncc1C(C)(N)C(=O)O
InChIInChI=1S/C9H12N2O2/c1-6-3-4-11-5-7(6)9(2,10)8(12)13/h3-5H,10H2,1-2H3,(H,12,13)
InChIKeyMAIYHODYHJEBKV-UHFFFAOYSA-N
XLogP0.65
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-pyridin-4-ylpropanoic acid;hydrochloride
CID 146014247
2-amino-2-(2,5-dimethylphenyl)propanoic acid
CID 24695518
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674
1-amino-2-(4-methyl-3-pyridinyl)propan-2-ol
CID 66271911
2-amino-2-(2,4-dimethylphenyl)propanoic acid;hydrochloride
CID 82128471
2-(4-methyl-3-pyridinyl)butan-2-ol
CID 66273296
2-methyl-2-[3-(trifluoromethyl)-4-pyridinyl]propanoic acid
CID 115008846
1-(3,4-dimethylphenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 66274369
(2S)-2-amino-2-(4-bromo-2-methylphenyl)propanoic acid
CID 130641100
N-(2-amino-2-methylpropyl)-4-methylpyridine-3-carboxamide
CID 110833937
2-(4-methoxy-3-pyridinyl)-2-methylpropanoic acid
CID 115009175
3-(2-hydroxypropan-2-yl)pyridine-4-carboxylic acid
CID 175712799

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-methyl-3-pyridinyl)propanoic acid?
The IUPAC name of 2-amino-2-(4-methyl-3-pyridinyl)propanoic acid (CID 55292841) is 2-amino-2-(4-methyl-3-pyridinyl)propanoic acid.
What is the SMILES notation for 2-amino-2-(4-methyl-3-pyridinyl)propanoic acid?
The canonical SMILES for 2-amino-2-(4-methyl-3-pyridinyl)propanoic acid is Cc1ccncc1C(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-(4-methyl-3-pyridinyl)propanoic acid?
The InChIKey is MAIYHODYHJEBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-3-4-11-5-7(6)9(2,10)8(12)13/h3-5H,10H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-2-(4-methyl-3-pyridinyl)propanoic acid?
2-amino-2-(4-methyl-3-pyridinyl)propanoic acid has a molecular weight of 180.21 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-methyl-3-pyridinyl)propanoic acid is sourced from PubChem (CID 55292841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).