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

C13H24N2O3 — CID 79803552

IUPAC2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)C1(C)CCNCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-13(5-2,11(17)18)15-10(16)12(3)6-8-14-9-7-12/h14H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyIFGOKBPFGLIRRM-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.14
Rot. Bonds5

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

2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid (PubChem CID 79803552) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid
PubChem CID79803552
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid
SMILESCCC(CC)(NC(=O)C1(C)CCNCC1)C(=O)O
InChIInChI=1S/C13H24N2O3/c1-4-13(5-2,11(17)18)15-10(16)12(3)6-8-14-9-7-12/h14H,4-9H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyIFGOKBPFGLIRRM-UHFFFAOYSA-N
XLogP1.14
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid (CID 79803552) is 2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid is CCC(CC)(NC(=O)C1(C)CCNCC1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid?
The InChIKey is IFGOKBPFGLIRRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-13(5-2,11(17)18)15-10(16)12(3)6-8-14-9-7-12/h14H,4-9H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid?
2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid has a molecular weight of 256.35 g/mol, XLogP of 1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(4-methylpiperidine-4-carbonyl)amino]butanoic acid is sourced from PubChem (CID 79803552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).