2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid

C15H28N2O3 — CID 79804077

IUPAC2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCCC1(C)CCN(C(=O)NC(CC)(CC)C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-5-14(4)8-10-17(11-9-14)13(20)16-15(6-2,7-3)12(18)19/h5-11H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyIZIVXWQHNCITOX-UHFFFAOYSA-N
MW284.40 g/mol
LogP2.85
Rot. Bonds5

About 2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid

2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid (PubChem CID 79804077) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid
PubChem CID79804077
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid
SMILESCCC1(C)CCN(C(=O)NC(CC)(CC)C(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-5-14(4)8-10-17(11-9-14)13(20)16-15(6-2,7-3)12(18)19/h5-11H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyIZIVXWQHNCITOX-UHFFFAOYSA-N
XLogP2.85
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid with MolForge

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Related Compounds

N-tert-butyl-4-ethyl-4-methylpiperidine-1-carboxamide
CID 115695093
3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 65263677
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3,3,3-trifluoro-2-methylpropanoic acid
CID 79789094
2-[(2,2-dimethylpyrrolidine-1-carbonyl)amino]-2-ethylbutanoic acid
CID 79804327
2-ethyl-2-[(4-methyl-1,4-diazepane-1-carbonyl)amino]butanoic acid
CID 79803729
2-[(1,4-dimethylpiperidin-4-yl)methylcarbamoylamino]-2-ethylbutanoic acid
CID 107164815
2-ethyl-5-(4-ethyl-4-methylpiperidin-1-yl)-2-(methylamino)pentanoic acid
CID 106806196
2-(3,6-dihydro-2H-pyridine-1-carbonylamino)-2-ethylbutanoic acid
CID 114411633
2-[1-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]cyclobutyl]acetic acid
CID 79851776
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
CID 63162284
1-(4-ethyl-4-methylpiperidin-1-yl)butane-1,3-dione
CID 63163386
4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80541063

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid (CID 79804077) is 2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid is CCC1(C)CCN(C(=O)NC(CC)(CC)C(=O)O)CC1.
What is the InChIKey of 2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid?
The InChIKey is IZIVXWQHNCITOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-5-14(4)8-10-17(11-9-14)13(20)16-15(6-2,7-3)12(18)19/h5-11H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid?
2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid has a molecular weight of 284.40 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79804077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).