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

C14H22N2O2 — CID 115220167

IUPAC3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid
SMILESCC(CNCC(C)(C)c1ccncc1)CC(=O)O
InChIInChI=1S/C14H22N2O2/c1-11(8-13(17)18)9-16-10-14(2,3)12-4-6-15-7-5-12/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyULHTTXMGWRVMPS-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.06
Rot. Bonds7

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

3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid (PubChem CID 115220167) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid
PubChem CID115220167
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid
SMILESCC(CNCC(C)(C)c1ccncc1)CC(=O)O
InChIInChI=1S/C14H22N2O2/c1-11(8-13(17)18)9-16-10-14(2,3)12-4-6-15-7-5-12/h4-7,11,16H,8-10H2,1-3H3,(H,17,18)
InChIKeyULHTTXMGWRVMPS-UHFFFAOYSA-N
XLogP2.06
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
CID 115164730
3-methyl-4-[[2-methyl-2-(2-methylphenyl)propyl]amino]butanoic acid
CID 115220160
3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115154468
2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid
CID 115128210
3-amino-4-[[2-methyl-2-(4-methylphenyl)propyl]amino]butanoic acid
CID 115241899
2-methyl-N-propan-2-yl-2-pyridin-4-ylpropan-1-amine
CID 80525312
N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine
CID 115226456
2-methyl-3-[(2-methyl-2-pyridin-3-ylpropyl)amino]propanoic acid
CID 115219667
N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
CID 115176145
3-[[2-(4-chlorophenyl)-2-methylpropyl]amino]-2-methylpropanoic acid
CID 115219650
2-(methylamino)-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 115189572
2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid?
The IUPAC name of 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid (CID 115220167) is 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid is CC(CNCC(C)(C)c1ccncc1)CC(=O)O.
What is the InChIKey of 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid?
The InChIKey is ULHTTXMGWRVMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(8-13(17)18)9-16-10-14(2,3)12-4-6-15-7-5-12/h4-7,11,16H,8-10H2,1-3H3,(H,17,18).
What are the key properties of 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid?
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid has a molecular weight of 250.34 g/mol, XLogP of 2.06, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid is sourced from PubChem (CID 115220167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).