5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid

C13H24N2O4 — CID 82687889

IUPAC5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CC(C)OCC1C
InChIInChI=1S/C13H24N2O4/c1-9(4-5-12(16)17)6-14-13(18)15-7-11(3)19-8-10(15)2/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyZGKSVZAACNJRGN-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.31
Rot. Bonds5

About 5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid

5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 82687889) has the molecular formula C13H24N2O4 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID82687889
Molecular FormulaC13H24N2O4
Molecular Weight272.35 g/mol
Exact Mass272.17
IUPAC Name5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)N1CC(C)OCC1C
InChIInChI=1S/C13H24N2O4/c1-9(4-5-12(16)17)6-14-13(18)15-7-11(3)19-8-10(15)2/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyZGKSVZAACNJRGN-UHFFFAOYSA-N
XLogP1.31
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid (CID 82687889) is 5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid is CC(CCC(=O)O)CNC(=O)N1CC(C)OCC1C.
What is the InChIKey of 5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is ZGKSVZAACNJRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-9(4-5-12(16)17)6-14-13(18)15-7-11(3)19-8-10(15)2/h9-11H,4-8H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of 5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid?
5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 272.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylmorpholine-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 82687889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).