5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid

C15H28N2O4 — CID 114594414

IUPAC5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)N1CC(C)CC(C)C1C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-10-8-11(2)12(3)17(9-10)15(20)16-13(14(18)19)6-5-7-21-4/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyXBOKJSBMSWGSRY-UHFFFAOYSA-N
MW300.40 g/mol
LogP1.94
Rot. Bonds6

About 5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid

5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid (PubChem CID 114594414) has the molecular formula C15H28N2O4 and a molecular weight of 300.40 g/mol. Its IUPAC name is 5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid
PubChem CID114594414
Molecular FormulaC15H28N2O4
Molecular Weight300.40 g/mol
Exact Mass300.20
IUPAC Name5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid
SMILESCOCCCC(NC(=O)N1CC(C)CC(C)C1C)C(=O)O
InChIInChI=1S/C15H28N2O4/c1-10-8-11(2)12(3)17(9-10)15(20)16-13(14(18)19)6-5-7-21-4/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19)
InChIKeyXBOKJSBMSWGSRY-UHFFFAOYSA-N
XLogP1.94
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-4-methoxy-4-oxo-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]butanoic acid
CID 104939771
2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81082355
2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81082451
2-amino-5-methoxy-1-(2,3,5-trimethylpiperidin-1-yl)pentan-1-one
CID 114593016
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
CID 81084930
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]pentanoic acid
CID 115867150
2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084056
5-methoxy-2-(2-methylpropanoylamino)pentanoic acid
CID 81077391
2-[(4,4-dimethylazepane-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81086424
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid (CID 114594414) is 5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid is COCCCC(NC(=O)N1CC(C)CC(C)C1C)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid?
The InChIKey is XBOKJSBMSWGSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O4/c1-10-8-11(2)12(3)17(9-10)15(20)16-13(14(18)19)6-5-7-21-4/h10-13H,5-9H2,1-4H3,(H,16,20)(H,18,19).
What are the key properties of 5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid?
5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid has a molecular weight of 300.40 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 114594414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).