2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid

C15H24N2O2 — CID 82328908

IUPAC2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid
SMILESCC(C)CCN(Cc1ccncc1)CC(C)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-12(2)6-9-17(10-13(3)15(18)19)11-14-4-7-16-8-5-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,18,19)
InChIKeyBVGZGUMIPASYQQ-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.65
Rot. Bonds8

About 2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid

2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid (PubChem CID 82328908) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid
PubChem CID82328908
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid
SMILESCC(C)CCN(Cc1ccncc1)CC(C)C(=O)O
InChIInChI=1S/C15H24N2O2/c1-12(2)6-9-17(10-13(3)15(18)19)11-14-4-7-16-8-5-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,18,19)
InChIKeyBVGZGUMIPASYQQ-UHFFFAOYSA-N
XLogP2.65
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[3-methylbutyl-[(4-methylphenyl)methyl]amino]propanoic acid
CID 82328907
2-methyl-3-[propanoyl(pyridin-4-ylmethyl)amino]propanoic acid
CID 82323325
3-[(2-fluorophenyl)methyl-(3-methylbutyl)amino]-2-methylpropanoic acid
CID 82327791
3-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropanehydrazide
CID 55213852
2-methyl-3-[3-methylbutyl(2-oxopropyl)amino]propanoic acid
CID 82329209
3-[benzyl(3-ethoxypropyl)amino]-2-methylpropanoic acid
CID 82327569
3-[(4-cyanophenyl)methyl-[2-(dimethylamino)ethyl]amino]-2-methylpropanoic acid
CID 82330005
(2R)-1-(dibenzylamino)-2,6-dimethylheptan-3-one
CID 11099804
N-methyl-N-(3-methylbutyl)-3-pyridin-4-ylpropanamide
CID 78897799
2-methyl-3-[prop-2-ynyl(pyridin-3-ylmethyl)amino]propanoic acid
CID 82330734
2-methyl-3-[2-methylpropyl(2-phenylethyl)amino]propanoic acid
CID 82328998
3-[propan-2-yl(pyridin-4-ylmethyl)amino]propanoic acid
CID 60840331

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid?
The IUPAC name of 2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid (CID 82328908) is 2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid is CC(C)CCN(Cc1ccncc1)CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid?
The InChIKey is BVGZGUMIPASYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-12(2)6-9-17(10-13(3)15(18)19)11-14-4-7-16-8-5-14/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,18,19).
What are the key properties of 2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid?
2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid has a molecular weight of 264.37 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[3-methylbutyl(pyridin-4-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 82328908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).