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

C12H18N2O2 — CID 43538751

IUPAC2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
SMILESCC(CN(C)CCc1ccccn1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-10(12(15)16)9-14(2)8-6-11-5-3-4-7-13-11/h3-5,7,10H,6,8-9H2,1-2H3,(H,15,16)
InChIKeyOWGOJJRDGMPDSS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.28
Rot. Bonds6

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

2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid (PubChem CID 43538751) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
PubChem CID43538751
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid
SMILESCC(CN(C)CCc1ccccn1)C(=O)O
InChIInChI=1S/C12H18N2O2/c1-10(12(15)16)9-14(2)8-6-11-5-3-4-7-13-11/h3-5,7,10H,6,8-9H2,1-2H3,(H,15,16)
InChIKeyOWGOJJRDGMPDSS-UHFFFAOYSA-N
XLogP1.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)ethanamine;oxalic acid
CID 2845946
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
CID 43228048
N-benzyl-N-methyl-2-pyridin-2-ylethanamine;oxalic acid
CID 17384893
2-methyl-3-[propan-2-yl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328653
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
2-[[methyl(2-pyridin-2-ylethyl)amino]methyl]butan-1-ol
CID 115251118
2-benzylsulfanyl-N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 71426765
1-(methylamino)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 43187938
2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoacetic acid
CID 43445021
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
N-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62418035

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid (CID 43538751) is 2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid is CC(CN(C)CCc1ccccn1)C(=O)O.
What is the InChIKey of 2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid?
The InChIKey is OWGOJJRDGMPDSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-10(12(15)16)9-14(2)8-6-11-5-3-4-7-13-11/h3-5,7,10H,6,8-9H2,1-2H3,(H,15,16).
What are the key properties of 2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid?
2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-pyridin-2-ylethyl)amino]propanoic acid is sourced from PubChem (CID 43538751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).