3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid

C11H16N2O2 — CID 65063476

IUPAC3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
SMILESCC(c1ccccn1)N(C)CCC(=O)O
InChIInChI=1S/C11H16N2O2/c1-9(10-5-3-4-7-12-10)13(2)8-6-11(14)15/h3-5,7,9H,6,8H2,1-2H3,(H,14,15)
InChIKeyMHGTXAZQOXWSAU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.55
Rot. Bonds5

About 3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid

3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid (PubChem CID 65063476) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
PubChem CID65063476
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid
SMILESCC(c1ccccn1)N(C)CCC(=O)O
InChIInChI=1S/C11H16N2O2/c1-9(10-5-3-4-7-12-10)13(2)8-6-11(14)15/h3-5,7,9H,6,8H2,1-2H3,(H,14,15)
InChIKeyMHGTXAZQOXWSAU-UHFFFAOYSA-N
XLogP1.55
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[(1R)-1-pyridin-2-ylethyl]amino]acetic acid
CID 95935067
3-[1-(5-fluoro-2-pyridinyl)ethyl-methylamino]propanoic acid
CID 83128740
3-[methyl(1-pyridin-2-ylethyl)amino]butanoic acid
CID 110838590
3-[[(1R)-1-pyridin-2-ylethyl]amino]propanoic acid
CID 81406743
4-[methyl-[phenyl(pyridin-2-yl)methyl]amino]butanoic acid
CID 65067919
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024
2-[tert-butyl(1-pyridin-2-ylethyl)amino]acetic acid
CID 79268256
formic acid;3-[4-[[methyl(1-pyridin-2-ylethyl)amino]methyl]pyrazol-1-yl]propanoic acid
CID 171687066
N,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 163258537
2-amino-N-methyl-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 96555130
(3S)-3-pyridin-2-ylbutanoic acid;sulfane
CID 167654157
methyl 3-[[methyl(1-pyridin-2-ylethyl)amino]methyl]benzoate
CID 56713563

Frequently Asked Questions

What is the IUPAC name of 3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid?
The IUPAC name of 3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid (CID 65063476) is 3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid?
The canonical SMILES for 3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid is CC(c1ccccn1)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid?
The InChIKey is MHGTXAZQOXWSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(10-5-3-4-7-12-10)13(2)8-6-11(14)15/h3-5,7,9H,6,8H2,1-2H3,(H,14,15).
What are the key properties of 3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid?
3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid has a molecular weight of 208.26 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(1-pyridin-2-ylethyl)amino]propanoic acid is sourced from PubChem (CID 65063476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).