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

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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).