2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid

C11H16N2O2 — CID 114699734

IUPAC2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid
SMILESCc1cnccc1CNCC(C)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-8-5-12-4-3-10(8)7-13-6-9(2)11(14)15/h3-5,9,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyUOXRSEOWNIGIFA-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.20
Rot. Bonds5

About 2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid

2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid (PubChem CID 114699734) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid
PubChem CID114699734
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid
SMILESCc1cnccc1CNCC(C)C(=O)O
InChIInChI=1S/C11H16N2O2/c1-8-5-12-4-3-10(8)7-13-6-9(2)11(14)15/h3-5,9,13H,6-7H2,1-2H3,(H,14,15)
InChIKeyUOXRSEOWNIGIFA-UHFFFAOYSA-N
XLogP1.20
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114701374
2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid
CID 115008773
2-methoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-1-amine
CID 114699579
2-methyl-3-[(4-methyl-3-pyridinyl)methylcarbamoylamino]propanoic acid
CID 114957107
3-methyl-2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]butanoic acid
CID 114701387
2-methyl-3-[(3-methyl-4-pyridinyl)methylcarbamoylamino]butanoic acid
CID 114701398
N,N-dimethyl-2-[(3-methyl-4-pyridinyl)methylamino]acetamide
CID 114699849
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methylpropanoic acid
CID 106035596
3-[[(3-methyl-4-pyridinyl)methylamino]methyl]thiophene-2-carboxylic acid
CID 103267005
(2S)-3-methyl-2-[(3-methyl-4-pyridinyl)methylcarbamoylamino]pentanoic acid
CID 104941438
4-hydroxy-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 114701979
5-[[(3-methyl-4-pyridinyl)methylamino]methyl]furan-2-carboxylic acid
CID 114698811

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid?
The IUPAC name of 2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid (CID 114699734) is 2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid?
The canonical SMILES for 2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid is Cc1cnccc1CNCC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid?
The InChIKey is UOXRSEOWNIGIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-5-12-4-3-10(8)7-13-6-9(2)11(14)15/h3-5,9,13H,6-7H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid?
2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(3-methyl-4-pyridinyl)methylamino]propanoic acid is sourced from PubChem (CID 114699734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).