2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid

C14H26N2O4 — CID 81082355

IUPAC2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N1CC(C)CCC1C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-10-6-7-11(2)16(9-10)14(19)15-12(13(17)18)5-4-8-20-3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyNLWAWFFZJHUNTE-UHFFFAOYSA-N
MW286.37 g/mol
LogP1.70
Rot. Bonds6

About 2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid

2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid (PubChem CID 81082355) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid.

Molecular Properties

Compound Name2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid
PubChem CID81082355
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid
SMILESCOCCCC(NC(=O)N1CC(C)CCC1C)C(=O)O
InChIInChI=1S/C14H26N2O4/c1-10-6-7-11(2)16(9-10)14(19)15-12(13(17)18)5-4-8-20-3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18)
InChIKeyNLWAWFFZJHUNTE-UHFFFAOYSA-N
XLogP1.70
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 51.70
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

5-methoxy-2-[(2,3,5-trimethylpiperidine-1-carbonyl)amino]pentanoic acid
CID 114594414
2-[(3,4-dimethylpyrrolidine-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81082451
2-(azepane-1-carbonylamino)-5-methoxypentanoic acid
CID 81076676
2-[[4-(hydroxymethyl)piperidine-1-carbonyl]amino]-5-methoxypentanoic acid
CID 81084930
(2S)-2-[(2,4-dimethylpiperidine-1-carbonyl)amino]hexanoic acid
CID 107145998
2-[(4,4-dimethylazepane-1-carbonyl)amino]-5-methoxypentanoic acid
CID 81086424
2-(cycloheptanecarbonylamino)-5-methoxypentanoic acid
CID 81077074
2-[(2-methylpyrrolidine-1-carbonyl)amino]pentanoic acid
CID 61207647
5-methoxy-2-(propanoylamino)pentanoic acid
CID 81076989
(2S)-5-methoxy-2-[(2-methylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 107825515
2-[(2,5-dimethylmorpholine-4-carbonyl)amino]-3-methoxypropanoic acid
CID 81085268
2-[(2,3-dimethylcyclohexyl)carbamoylamino]-5-methoxypentanoic acid
CID 81084056

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid?
The IUPAC name of 2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid (CID 81082355) is 2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid.
What is the SMILES notation for 2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid?
The canonical SMILES for 2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid is COCCCC(NC(=O)N1CC(C)CCC1C)C(=O)O.
What is the InChIKey of 2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid?
The InChIKey is NLWAWFFZJHUNTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-10-6-7-11(2)16(9-10)14(19)15-12(13(17)18)5-4-8-20-3/h10-12H,4-9H2,1-3H3,(H,15,19)(H,17,18).
What are the key properties of 2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid?
2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid has a molecular weight of 286.37 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpiperidine-1-carbonyl)amino]-5-methoxypentanoic acid is sourced from PubChem (CID 81082355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).