5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid

C15H30N2O3 — CID 104960236

IUPAC5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(C)(CCCN1C[C@@H](C)O[C@@H](C)C1)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-11(2)16-15(5,14(18)19)7-6-8-17-9-12(3)20-13(4)10-17/h11-13,16H,6-10H2,1-5H3,(H,18,19)/t12-,13+,15?
InChIKeyYOYGTQJUZHKRKW-NNQSOWQGSA-N
MW286.42 g/mol
LogP1.72
Rot. Bonds7

About 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid

5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid (PubChem CID 104960236) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid
PubChem CID104960236
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Name5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid
SMILESCC(C)NC(C)(CCCN1C[C@@H](C)O[C@@H](C)C1)C(=O)O
InChIInChI=1S/C15H30N2O3/c1-11(2)16-15(5,14(18)19)7-6-8-17-9-12(3)20-13(4)10-17/h11-13,16H,6-10H2,1-5H3,(H,18,19)/t12-,13+,15?
InChIKeyYOYGTQJUZHKRKW-NNQSOWQGSA-N
XLogP1.72
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid (CID 104960236) is 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid is CC(C)NC(C)(CCCN1C[C@@H](C)O[C@@H](C)C1)C(=O)O.
What is the InChIKey of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is YOYGTQJUZHKRKW-NNQSOWQGSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-11(2)16-15(5,14(18)19)7-6-8-17-9-12(3)20-13(4)10-17/h11-13,16H,6-10H2,1-5H3,(H,18,19)/t12-,13+,15?.
What are the key properties of 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid?
5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 286.42 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methyl-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 104960236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).