2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid

C15H28N2O3 — CID 83199342

IUPAC2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)C(C)(C)C1CCCNC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-5-15(6-2,13(19)20)17-12(18)14(3,4)11-8-7-9-16-10-11/h11,16H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyCMMGXPHLDDDLLZ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.77
Rot. Bonds6

About 2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid

2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid (PubChem CID 83199342) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid
PubChem CID83199342
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)C(C)(C)C1CCCNC1)C(=O)O
InChIInChI=1S/C15H28N2O3/c1-5-15(6-2,13(19)20)17-12(18)14(3,4)11-8-7-9-16-10-11/h11,16H,5-10H2,1-4H3,(H,17,18)(H,19,20)
InChIKeyCMMGXPHLDDDLLZ-UHFFFAOYSA-N
XLogP1.77
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(2-methylbutan-2-yl)-2-piperidin-3-ylpropanamide
CID 83199732
N,2-dimethyl-2-piperidin-3-ylpropanamide
CID 83031239
2-ethyl-2-(piperidine-3-carbonylamino)butanoic acid
CID 79804533
N',N',2-trimethyl-2-piperidin-3-ylpropanehydrazide
CID 83199911
2-methyl-N-(2-methylpropyl)-2-piperidin-3-ylpropanamide
CID 83032464
2-methyl-3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]propanoic acid
CID 83198731
2-methyl-2-piperidin-3-yl-N-(4-propylcyclohexyl)propanamide
CID 83034570
3-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]hexanoic acid
CID 83200067
N-(3-ethylsulfanylpropyl)-2-methyl-2-piperidin-3-ylpropanamide
CID 114247975
(2R)-4-amino-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]-4-oxobutanoic acid
CID 107824520
N-cyclohexyl-2-methyl-2-piperidin-3-ylpropanamide
CID 83032368
N-[2-(diethylamino)ethyl]-2-methyl-2-piperidin-3-ylpropanamide
CID 83031262

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid (CID 83199342) is 2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid is CCC(CC)(NC(=O)C(C)(C)C1CCCNC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid?
The InChIKey is CMMGXPHLDDDLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-15(6-2,13(19)20)17-12(18)14(3,4)11-8-7-9-16-10-11/h11,16H,5-10H2,1-4H3,(H,17,18)(H,19,20).
What are the key properties of 2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid?
2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(2-methyl-2-piperidin-3-ylpropanoyl)amino]butanoic acid is sourced from PubChem (CID 83199342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).