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

C13H20N2O2 — CID 115128210

IUPAC2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid
SMILESCC(C)(NCC(C)(C)c1ccncc1)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-12(2,10-5-7-14-8-6-10)9-15-13(3,4)11(16)17/h5-8,15H,9H2,1-4H3,(H,16,17)
InChIKeyMPERZLUNYHFWOY-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.81
Rot. Bonds5

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

2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid (PubChem CID 115128210) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid
PubChem CID115128210
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid
SMILESCC(C)(NCC(C)(C)c1ccncc1)C(=O)O
InChIInChI=1S/C13H20N2O2/c1-12(2,10-5-7-14-8-6-10)9-15-13(3,4)11(16)17/h5-8,15H,9H2,1-4H3,(H,16,17)
InChIKeyMPERZLUNYHFWOY-UHFFFAOYSA-N
XLogP1.81
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methyl-2-pyridin-4-ylpropyl)-2-oxopropanamide
CID 115176145
2-chloro-N-(2-methyl-2-pyridin-4-ylpropyl)acetamide
CID 115162284
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]-4-oxobutanoic acid
CID 115164730
3-methyl-4-[(2-methyl-2-pyridin-4-ylpropyl)amino]butanoic acid
CID 115220167
2-(methylamino)-3-[(2-methyl-2-pyridin-4-ylpropyl)amino]-3-oxopropanoic acid
CID 115189572
2-methyl-N-propan-2-yl-2-pyridin-4-ylpropan-1-amine
CID 80525312
N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine
CID 115226456
3-amino-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115154468
4-amino-4-methyl-N-(2-methyl-2-pyridin-4-ylpropyl)pentanamide
CID 115157653
2-(hydroxymethyl)-N-(2-methyl-2-pyridin-4-ylpropyl)butanamide
CID 115186798
2-(butylamino)-2-pyridin-4-ylpropanoic acid
CID 114988882
tert-butyl-(2-methyl-2-pyridin-4-ylpropyl)carbamic acid
CID 166745721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid (CID 115128210) is 2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid is CC(C)(NCC(C)(C)c1ccncc1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid?
The InChIKey is MPERZLUNYHFWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-12(2,10-5-7-14-8-6-10)9-15-13(3,4)11(16)17/h5-8,15H,9H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid?
2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid has a molecular weight of 236.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-2-pyridin-4-ylpropyl)amino]propanoic acid is sourced from PubChem (CID 115128210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).