2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid

C11H16N2O3 — CID 104644480

IUPAC2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
SMILESCc1cccnc1CNCC(C)(O)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-8-4-3-5-13-9(8)6-12-7-11(2,16)10(14)15/h3-5,12,16H,6-7H2,1-2H3,(H,14,15)
InChIKeyAPDIGCCAASRUOM-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.32
Rot. Bonds5

About 2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid

2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid (PubChem CID 104644480) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
PubChem CID104644480
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
SMILESCc1cccnc1CNCC(C)(O)C(=O)O
InChIInChI=1S/C11H16N2O3/c1-8-4-3-5-13-9(8)6-12-7-11(2,16)10(14)15/h3-5,12,16H,6-7H2,1-2H3,(H,14,15)
InChIKeyAPDIGCCAASRUOM-UHFFFAOYSA-N
XLogP0.32
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 2-[(3-methyl-2-pyridinyl)methylamino]acetate
CID 63305533
2-ethoxy-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114942154
2-[(3-methyl-2-pyridinyl)methylamino]-N-phenylacetamide
CID 55205384
2-hydroxy-2-methyl-3-(pyridin-4-ylmethylamino)propanoic acid
CID 104643853
2-ethyl-2-[[(3-methyl-2-pyridinyl)methylamino]methyl]butan-1-ol
CID 81419845
2-amino-3,3-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 76989507
N-benzyl-2-[(3-methyl-2-pyridinyl)methylamino]acetamide
CID 63306550
2,2-dimethyl-4-[(3-methyl-2-pyridinyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 65301601
2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]butan-2-ol
CID 65337637
2-hydroxy-3-[(3-iodo-2-pyridinyl)amino]-2-methylpropanoic acid
CID 122060951
2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 112650853
2-(tert-butylamino)-N-[(3-methyl-2-pyridinyl)methyl]acetamide
CID 78942030

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid (CID 104644480) is 2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid is Cc1cccnc1CNCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid?
The InChIKey is APDIGCCAASRUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-4-3-5-13-9(8)6-12-7-11(2,16)10(14)15/h3-5,12,16H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid?
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid has a molecular weight of 224.26 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid is sourced from PubChem (CID 104644480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).