2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid

C12H23NO3 — CID 82238554

IUPAC2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N1CCOC(C)(C)C1
InChIInChI=1S/C12H23NO3/c1-5-6-12(4,10(14)15)13-7-8-16-11(2,3)9-13/h5-9H2,1-4H3,(H,14,15)
InChIKeyVCRJTYHHRWXQBI-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.74
Rot. Bonds4

About 2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid

2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid (PubChem CID 82238554) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid.

Molecular Properties

Compound Name2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid
PubChem CID82238554
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid
SMILESCCCC(C)(C(=O)O)N1CCOC(C)(C)C1
InChIInChI=1S/C12H23NO3/c1-5-6-12(4,10(14)15)13-7-8-16-11(2,3)9-13/h5-9H2,1-4H3,(H,14,15)
InChIKeyVCRJTYHHRWXQBI-UHFFFAOYSA-N
XLogP1.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-dimethylmorpholin-4-yl)-3-methoxy-2-methylpropanoic acid
CID 82239374
2-methyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pentanoic acid
CID 79695131
2-(3,3-dipropylazetidin-1-yl)-2-methylpentanoic acid
CID 79695027
4-tert-butyl-2,2-dimethylmorpholine
CID 59539576
2-methyl-2-morpholin-4-ylbutanoic acid
CID 43803225
2-(3,5-dimethylpiperidin-1-yl)-2-methylpentanoic acid
CID 114988447
N-ethyl-2,2-dimethylmorpholine-4-carboxamide
CID 115583911
1-(2,2-dimethylmorpholine-4-carbonyl)-3-propylpyrrolidine-3-carboxylic acid
CID 63149279
2-methyl-2-(3-oxopiperazin-1-yl)pentanoic acid
CID 82238430
2-methyl-2-piperazin-1-ylnonanoic acid
CID 54890751
2-(2,2-dimethylmorpholin-4-yl)-2,5-dimethylhexan-1-amine
CID 43592675
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3,3-dimethylbutan-1-one
CID 61153898

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid?
The IUPAC name of 2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid (CID 82238554) is 2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid.
What is the SMILES notation for 2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid?
The canonical SMILES for 2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid is CCCC(C)(C(=O)O)N1CCOC(C)(C)C1.
What is the InChIKey of 2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid?
The InChIKey is VCRJTYHHRWXQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-6-12(4,10(14)15)13-7-8-16-11(2,3)9-13/h5-9H2,1-4H3,(H,14,15).
What are the key properties of 2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid?
2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylmorpholin-4-yl)-2-methylpentanoic acid is sourced from PubChem (CID 82238554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).