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

C14H26N2O3 — CID 63162284

IUPAC2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)N1CCC(C)(CC)CC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-6-11(12(17)18)15-13(19)16-9-7-14(3,5-2)8-10-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyAXBMUQGUAFGWCP-UHFFFAOYSA-N
MW270.37 g/mol
LogP2.46
Rot. Bonds5

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

2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 63162284) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID63162284
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCCCC(NC(=O)N1CCC(C)(CC)CC1)C(=O)O
InChIInChI=1S/C14H26N2O3/c1-4-6-11(12(17)18)15-13(19)16-9-7-14(3,5-2)8-10-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyAXBMUQGUAFGWCP-UHFFFAOYSA-N
XLogP2.46
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 63162019
(2R)-2-[(4-hydroxy-4-methylazepane-1-carbonyl)amino]pentanoic acid
CID 107567866
(2S)-2-[(4-methylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107565857
(2R)-2-[(3,3-dimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 107567056
2-[(4,4-dimethylazepane-1-carbonyl)amino]hexanoic acid
CID 65282412
(2R)-2-[(4-propan-2-ylpiperazine-1-carbonyl)amino]pentanoic acid
CID 107566252
(2S)-2-[(4-acetyl-1,4-diazepane-1-carbonyl)amino]pentanoic acid
CID 107566616
(2S)-2-[(3,3-dimethylpyrrolidine-1-carbonyl)amino]hexanoic acid
CID 107146319
4-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]-2-methylbutanoic acid
CID 80541063
(2R)-4-hydroxy-2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]butanoic acid
CID 114005762
2-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]pentanedioic acid
CID 81115043
(2R)-2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566112

Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid (CID 63162284) is 2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid is CCCC(NC(=O)N1CCC(C)(CC)CC1)C(=O)O.
What is the InChIKey of 2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is AXBMUQGUAFGWCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-4-6-11(12(17)18)15-13(19)16-9-7-14(3,5-2)8-10-16/h11H,4-10H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid?
2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 270.37 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethyl-4-methylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 63162284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).