2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid

C13H20N2O3 — CID 82892879

IUPAC2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)Cc1cc(OC)cc(C)n1
InChIInChI=1S/C13H20N2O3/c1-5-12(13(16)17)15(3)8-10-7-11(18-4)6-9(2)14-10/h6-7,12H,5,8H2,1-4H3,(H,16,17)
InChIKeyLJERDHDCYVSGPX-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.69
Rot. Bonds6

About 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid

2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid (PubChem CID 82892879) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid
PubChem CID82892879
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)Cc1cc(OC)cc(C)n1
InChIInChI=1S/C13H20N2O3/c1-5-12(13(16)17)15(3)8-10-7-11(18-4)6-9(2)14-10/h6-7,12H,5,8H2,1-4H3,(H,16,17)
InChIKeyLJERDHDCYVSGPX-UHFFFAOYSA-N
XLogP1.69
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,5-dimethoxyphenyl)methyl-methylamino]butanoic acid
CID 65068399
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-methylbutanoic acid
CID 82893724
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-propylamino]acetic acid
CID 82893491
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]butanoic acid
CID 65068401
3-methoxy-2-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-3-oxopropanoic acid
CID 103973248
2-[tert-butyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]acetic acid
CID 82892804
N'-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 82893709
3-[cyclopropyl-[(4-methoxy-6-methyl-2-pyridinyl)methyl]amino]propanoic acid
CID 82892878
2-formamido-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid
CID 82893469
2-[(4-methoxy-6-methyl-2-pyridinyl)methylamino]acetic acid
CID 82893407
2-cyclopentyl-3-(4-methoxy-6-methyl-2-pyridinyl)propanoic acid
CID 112569186
5-bromo-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]-N-methylpentan-1-amine
CID 107204889

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid?
The IUPAC name of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid (CID 82892879) is 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid.
What is the SMILES notation for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid?
The canonical SMILES for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid is CCC(C(=O)O)N(C)Cc1cc(OC)cc(C)n1.
What is the InChIKey of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid?
The InChIKey is LJERDHDCYVSGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-5-12(13(16)17)15(3)8-10-7-11(18-4)6-9(2)14-10/h6-7,12H,5,8H2,1-4H3,(H,16,17).
What are the key properties of 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid?
2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid has a molecular weight of 252.31 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methyl-2-pyridinyl)methyl-methylamino]butanoic acid is sourced from PubChem (CID 82892879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).