2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid

C16H32N2O2 — CID 83061908

IUPAC2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
SMILESCCCC1CCCCN1CCC(C)(NC(C)C)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-5-8-14-9-6-7-11-18(14)12-10-16(4,15(19)20)17-13(2)3/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyXTZRJYLWECZXBE-UHFFFAOYSA-N
MW284.44 g/mol
LogP2.87
Rot. Bonds8

About 2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid

2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid (PubChem CID 83061908) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
PubChem CID83061908
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid
SMILESCCCC1CCCCN1CCC(C)(NC(C)C)C(=O)O
InChIInChI=1S/C16H32N2O2/c1-5-8-14-9-6-7-11-18(14)12-10-16(4,15(19)20)17-13(2)3/h13-14,17H,5-12H2,1-4H3,(H,19,20)
InChIKeyXTZRJYLWECZXBE-UHFFFAOYSA-N
XLogP2.87
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 104691702
2-(cyclopropylamino)-2-methyl-5-(2-propylpiperidin-1-yl)pentanoic acid
CID 83045392
2-methyl-2-(propan-2-ylamino)-4-(4-propylpiperidin-1-yl)butanoic acid
CID 62205065
3-(2-ethylazepan-1-yl)-2-methyl-2-(propan-2-ylamino)propanoic acid
CID 104691653
2-(ethylamino)-4-(2-ethylazepan-1-yl)-2-methylbutanoic acid
CID 104691575
4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 83221191
2-methyl-2-(propan-2-ylamino)-5-(2-propylpiperidin-1-yl)pentanenitrile
CID 83062285
2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanamide
CID 83062596
2,2-dimethyl-4-(2-propylpiperidin-1-yl)butanethioamide
CID 83056160
2-amino-4-(2-propylpiperidin-1-yl)butanamide
CID 83062448
4-(3-ethyl-4-methylpiperazin-1-yl)-2-methyl-2-(propan-2-ylamino)butanoic acid
CID 63635256
2-(ethylamino)-2-methyl-6-(2-propylpiperidin-1-yl)hexan-1-ol
CID 83056941

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid (CID 83061908) is 2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid is CCCC1CCCCN1CCC(C)(NC(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid?
The InChIKey is XTZRJYLWECZXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-5-8-14-9-6-7-11-18(14)12-10-16(4,15(19)20)17-13(2)3/h13-14,17H,5-12H2,1-4H3,(H,19,20).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid?
2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid has a molecular weight of 284.44 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(2-propylpiperidin-1-yl)butanoic acid is sourced from PubChem (CID 83061908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).