2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid

C13H25NO3 — CID 114994046

IUPAC2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid
SMILESCC(C)CCC(C)(C(=O)O)N1CCOCC1C
InChIInChI=1S/C13H25NO3/c1-10(2)5-6-13(4,12(15)16)14-7-8-17-9-11(14)3/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyXQMUTQJORDJVTD-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.99
Rot. Bonds5

About 2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid

2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid (PubChem CID 114994046) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid.

Molecular Properties

Compound Name2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid
PubChem CID114994046
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid
SMILESCC(C)CCC(C)(C(=O)O)N1CCOCC1C
InChIInChI=1S/C13H25NO3/c1-10(2)5-6-13(4,12(15)16)14-7-8-17-9-11(14)3/h10-11H,5-9H2,1-4H3,(H,15,16)
InChIKeyXQMUTQJORDJVTD-UHFFFAOYSA-N
XLogP1.99
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-(3-methylmorpholin-4-yl)propanoic acid
CID 82236437
2,5-dimethyl-2-(2-oxo-1,3-oxazolidin-3-yl)hexanoic acid
CID 114990682
2,3-dimethyl-2-(3-methylmorpholin-4-yl)butan-1-amine
CID 61353365
(3R)-3-methyl-4-(2-methylbutan-2-yl)morpholine
CID 170219937
2-[ethyl-(3-methylmorpholine-4-carbonyl)amino]-2-methylpropanoic acid
CID 62820763
2-methyl-2-[(3-methylmorpholine-4-carbonyl)amino]butanoic acid
CID 79800880
2-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
CID 106774404
2-methyl-2-(3-methylmorpholin-4-yl)pentan-1-amine
CID 43541940
(2R)-2-amino-3,3-dimethyl-1-(3-methylmorpholin-4-yl)butan-1-one
CID 103928483
2-(3-methylmorpholin-4-yl)pentanoic acid
CID 83041172
2-ethyl-5-(3-methylmorpholin-4-yl)-2-(propan-2-ylamino)pentanoic acid
CID 106805798
2-amino-1-[(3R)-3-methylmorpholin-4-yl]-4-methylsulfonylbutan-1-one
CID 106774307

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid?
The IUPAC name of 2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid (CID 114994046) is 2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid.
What is the SMILES notation for 2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid?
The canonical SMILES for 2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid is CC(C)CCC(C)(C(=O)O)N1CCOCC1C.
What is the InChIKey of 2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid?
The InChIKey is XQMUTQJORDJVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-10(2)5-6-13(4,12(15)16)14-7-8-17-9-11(14)3/h10-11H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid?
2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid has a molecular weight of 243.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2-(3-methylmorpholin-4-yl)hexanoic acid is sourced from PubChem (CID 114994046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).