4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

C14H26N2O4 — CID 66000852

IUPAC4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCCC1(C)CCN(C(=O)NCC(C)(O)CC(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-4-13(2)5-7-16(8-6-13)12(19)15-10-14(3,20)9-11(17)18/h20H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyZUWJXHCWJFCOSJ-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.43
Rot. Bonds5

About 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid

4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 66000852) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID66000852
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid
SMILESCCC1(C)CCN(C(=O)NCC(C)(O)CC(=O)O)CC1
InChIInChI=1S/C14H26N2O4/c1-4-13(2)5-7-16(8-6-13)12(19)15-10-14(3,20)9-11(17)18/h20H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyZUWJXHCWJFCOSJ-UHFFFAOYSA-N
XLogP1.43
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid (CID 66000852) is 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is CCC1(C)CCN(C(=O)NCC(C)(O)CC(=O)O)CC1.
What is the InChIKey of 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is ZUWJXHCWJFCOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-4-13(2)5-7-16(8-6-13)12(19)15-10-14(3,20)9-11(17)18/h20H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid?
4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 66000852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).