3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid

C13H20N2O2 — CID 115220133

IUPAC3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid
SMILESCC(CC(=O)O)CN(C)CCc1cccnc1
InChIInChI=1S/C13H20N2O2/c1-11(8-13(16)17)10-15(2)7-5-12-4-3-6-14-9-12/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,16,17)
InChIKeyACLNKBNQVSTIHN-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.67
Rot. Bonds7

About 3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid

3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid (PubChem CID 115220133) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid
PubChem CID115220133
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid
SMILESCC(CC(=O)O)CN(C)CCc1cccnc1
InChIInChI=1S/C13H20N2O2/c1-11(8-13(16)17)10-15(2)7-5-12-4-3-6-14-9-12/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,16,17)
InChIKeyACLNKBNQVSTIHN-UHFFFAOYSA-N
XLogP1.67
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(E)-4-[methyl(2-pyridin-3-ylethyl)amino]but-2-enoic acid
CID 115237374
methyl 4-hydroxy-5-[methyl(2-pyridin-3-ylethyl)amino]pentanoate
CID 115123658
2-ethyl-N'-methyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 115251756
3-methyl-5-oxo-5-[propan-2-yl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 62964403
4-pyridin-3-ylbutan-2-ylcarbamic acid
CID 146273639
1-N,4-dimethyl-1-N-(2-pyridin-3-ylethyl)pentane-1,3-diamine
CID 81490426
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
5-methyl-1-pyridin-3-ylheptan-3-one
CID 105091617
3-[methyl(pyridin-3-ylmethyl)amino]pentanoic acid
CID 63067935
(E)-4-[methyl(2-pyridin-3-ylethyl)amino]-4-oxobut-2-enoic acid
CID 115177328
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
4-methyl-3-(pyridin-3-ylmethylamino)pentanoic acid
CID 83691362

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid?
The IUPAC name of 3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid (CID 115220133) is 3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid is CC(CC(=O)O)CN(C)CCc1cccnc1.
What is the InChIKey of 3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid?
The InChIKey is ACLNKBNQVSTIHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-11(8-13(16)17)10-15(2)7-5-12-4-3-6-14-9-12/h3-4,6,9,11H,5,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid?
3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid has a molecular weight of 236.31 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl(2-pyridin-3-ylethyl)amino]butanoic acid is sourced from PubChem (CID 115220133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).