3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid

C14H22N2O2 — CID 54460299

IUPAC3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid
SMILESCCCCc1cnc(C(=O)O)c(C(C)(C)CN)c1
InChIInChI=1S/C14H22N2O2/c1-4-5-6-10-7-11(14(2,3)9-15)12(13(17)18)16-8-10/h7-8H,4-6,9,15H2,1-3H3,(H,17,18)
InChIKeyXBDSJUOGNLTKKA-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.36
Rot. Bonds6

About 3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid

3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid (PubChem CID 54460299) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid
PubChem CID54460299
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid
SMILESCCCCc1cnc(C(=O)O)c(C(C)(C)CN)c1
InChIInChI=1S/C14H22N2O2/c1-4-5-6-10-7-11(14(2,3)9-15)12(13(17)18)16-8-10/h7-8H,4-6,9,15H2,1-3H3,(H,17,18)
InChIKeyXBDSJUOGNLTKKA-UHFFFAOYSA-N
XLogP2.36
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[3-[6-carboxy-5-(methylamino)-3-pyridinyl]propyl]-3-(methylamino)pyridine-2-carboxylic acid
CID 162752173
bis(5-butylpyridine-2-carboxylic acid);copper(1+)
CID 42613105
tris(5-butylpyridine-2-carboxylic acid);iron
CID 91867238
2-bromo-5-butylpyridine-3-carboxamide
CID 173465828
5-(10,10-dimethylundecyl)-3-ethynylpyridine-2-carboxylic acid
CID 172805233
5-tert-butyl-1-(4-butylphenyl)triazole-4-carboxylic acid
CID 82201083
5-(4-cyanobutyl)-3-ethylsulfanylpyridine-2-carboxylic acid
CID 163238975
CID 69445910
CID 69445910
4-butylbenzoic acid;zinc
CID 175174767
4-butyl-2,6-ditert-butylphenol
CID 158079570
5-bromo-3-tert-butylpyridine-2-carboxylic acid
CID 84729396
5-[2-(2-aminoethylsulfanyl)ethyl]pyridine-2,3-dicarboxylic acid
CID 121267301

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid?
The IUPAC name of 3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid (CID 54460299) is 3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid.
What is the SMILES notation for 3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid?
The canonical SMILES for 3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid is CCCCc1cnc(C(=O)O)c(C(C)(C)CN)c1.
What is the InChIKey of 3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid?
The InChIKey is XBDSJUOGNLTKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-4-5-6-10-7-11(14(2,3)9-15)12(13(17)18)16-8-10/h7-8H,4-6,9,15H2,1-3H3,(H,17,18).
What are the key properties of 3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid?
3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid has a molecular weight of 250.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carboxylic acid is sourced from PubChem (CID 54460299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).