3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid

C16H30N2O3 — CID 65263677

IUPAC3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCCC1(C)CCN(C(=O)NC(C)(C)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-7-16(6)8-10-18(11-9-16)13(21)17-15(4,5)14(2,3)12(19)20/h7-11H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyVWJPJAPCQFLFKD-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.10
Rot. Bonds4

About 3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid

3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid (PubChem CID 65263677) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is 3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
PubChem CID65263677
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Name3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid
SMILESCCC1(C)CCN(C(=O)NC(C)(C)C(C)(C)C(=O)O)CC1
InChIInChI=1S/C16H30N2O3/c1-7-16(6)8-10-18(11-9-16)13(21)17-15(4,5)14(2,3)12(19)20/h7-11H2,1-6H3,(H,17,21)(H,19,20)
InChIKeyVWJPJAPCQFLFKD-UHFFFAOYSA-N
XLogP3.10
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid (CID 65263677) is 3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid is CCC1(C)CCN(C(=O)NC(C)(C)C(C)(C)C(=O)O)CC1.
What is the InChIKey of 3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
The InChIKey is VWJPJAPCQFLFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-7-16(6)8-10-18(11-9-16)13(21)17-15(4,5)14(2,3)12(19)20/h7-11H2,1-6H3,(H,17,21)(H,19,20).
What are the key properties of 3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid?
3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid has a molecular weight of 298.43 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65263677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).