2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid

C12H18N2O2 — CID 112650853

IUPAC2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid
SMILESCc1cccnc1CN(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-9-6-5-7-13-10(9)8-14(4)12(2,3)11(15)16/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyWLJYQAKXFTWOOV-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.69
Rot. Bonds4

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

2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid (PubChem CID 112650853) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid
PubChem CID112650853
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid
SMILESCc1cccnc1CN(C)C(C)(C)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-9-6-5-7-13-10(9)8-14(4)12(2,3)11(15)16/h5-7H,8H2,1-4H3,(H,15,16)
InChIKeyWLJYQAKXFTWOOV-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]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

N-methyl-N-[(3-methyl-2-pyridinyl)methyl]carbamoyl chloride
CID 146479339
N,N-dimethyl-1-(3-methyl-2-pyridinyl)methanamine
CID 20666322
4,4,4-trifluoro-N-methyl-N-[(3-methyl-2-pyridinyl)methyl]butanamide
CID 90650041
2-hydroxy-2-methyl-3-[(3-methyl-2-pyridinyl)methylamino]propanoic acid
CID 104644480
2-[[methyl-[(3-methyl-2-pyridinyl)methyl]amino]methyl]-1,3-oxazole-4-carboxylic acid
CID 134701429
2-[2-methylpropyl-[(3-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 112650859
3-[N-[(3-methyl-2-pyridinyl)methyl]anilino]propanoic acid
CID 115982199
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
2-methyl-2-[methyl-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 62822661
3-[methyl-[2-(3-methyl-2-pyridinyl)acetyl]amino]propanoic acid
CID 107147133
N,1-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154886194

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid (CID 112650853) is 2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid is Cc1cccnc1CN(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid?
The InChIKey is WLJYQAKXFTWOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-6-5-7-13-10(9)8-14(4)12(2,3)11(15)16/h5-7H,8H2,1-4H3,(H,15,16).
What are the key properties of 2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid?
2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[(3-methyl-2-pyridinyl)methyl]amino]propanoic acid is sourced from PubChem (CID 112650853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).