2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid

C12H19N3O2 — CID 55144478

IUPAC2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
SMILESCN(CCc1ccccn1)CCC(N)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-15(9-6-11(13)12(16)17)8-5-10-4-2-3-7-14-10/h2-4,7,11H,5-6,8-9,13H2,1H3,(H,16,17)
InChIKeyITONWFAIFVLLES-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.36
Rot. Bonds7

About 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid

2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid (PubChem CID 55144478) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
PubChem CID55144478
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
SMILESCN(CCc1ccccn1)CCC(N)C(=O)O
InChIInChI=1S/C12H19N3O2/c1-15(9-6-11(13)12(16)17)8-5-10-4-2-3-7-14-10/h2-4,7,11H,5-6,8-9,13H2,1H3,(H,16,17)
InChIKeyITONWFAIFVLLES-UHFFFAOYSA-N
XLogP0.36
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
CID 170716889
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
CID 43538751
N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
4-[methyl(2-pyridin-2-ylethyl)amino]butanehydrazide
CID 63572869
(2S)-2-amino-5-oxo-5-(2-pyridin-2-ylethylamino)pentanoic acid
CID 69303223
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate
CID 63027374
2-amino-3-hydroxy-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 115180171
2-[methyl(2-pyridin-2-ylethyl)amino]-2-phenylacetohydrazide
CID 63572687
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
2-aminopentanedioic acid;2-ethylpyridine
CID 174937923
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid?
The IUPAC name of 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid (CID 55144478) is 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid.
What is the SMILES notation for 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid?
The canonical SMILES for 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid is CN(CCc1ccccn1)CCC(N)C(=O)O.
What is the InChIKey of 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid?
The InChIKey is ITONWFAIFVLLES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-15(9-6-11(13)12(16)17)8-5-10-4-2-3-7-14-10/h2-4,7,11H,5-6,8-9,13H2,1H3,(H,16,17).
What are the key properties of 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid?
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid has a molecular weight of 237.30 g/mol, XLogP of 0.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid is sourced from PubChem (CID 55144478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).