4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid

C12H24N2O3 — CID 68523029

IUPAC4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid
SMILESCC(C)C(N)CN1CC(C)(C)OCC1C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(2)9(13)5-14-7-12(3,4)17-6-10(14)11(15)16/h8-10H,5-7,13H2,1-4H3,(H,15,16)
InChIKeyAHLHQTSLLAXDQT-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.53
Rot. Bonds4

About 4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid

4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid (PubChem CID 68523029) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid
PubChem CID68523029
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid
SMILESCC(C)C(N)CN1CC(C)(C)OCC1C(=O)O
InChIInChI=1S/C12H24N2O3/c1-8(2)9(13)5-14-7-12(3,4)17-6-10(14)11(15)16/h8-10H,5-7,13H2,1-4H3,(H,15,16)
InChIKeyAHLHQTSLLAXDQT-UHFFFAOYSA-N
XLogP0.53
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid
CID 68523816
6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid
CID 87484415
6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid
CID 68534967
(3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid
CID 68523362
4-(2-amino-2-methylpropanoyl)-6,6-dimethylmorpholine-3-carboxylic acid
CID 68715937
benzyl (3S)-4-benzyl-6,6-dimethylmorpholine-3-carboxylate
CID 59337560
methyl 6,6-dimethyl-4-propan-2-ylmorpholine-3-carboxylate
CID 118118158
(3S)-6,6-dimethyl-4-[2-oxo-2-(pyrimidin-4-ylmethylamino)ethyl]morpholine-3-carboxylic acid
CID 174514223
4,4-dimethyl-1-(2-methylpropyl)pyrrolidine-2-carboxamide
CID 174906357
(2S)-2-amino-1-(2,2-dimethylmorpholin-4-yl)-3-methylbutan-1-one
CID 61156475
1-(2-methylpropyl)azetidine-2-carboxylic acid
CID 22132132
6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one
CID 115067596

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid?
The IUPAC name of 4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid (CID 68523029) is 4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid.
What is the SMILES notation for 4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid?
The canonical SMILES for 4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid is CC(C)C(N)CN1CC(C)(C)OCC1C(=O)O.
What is the InChIKey of 4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid?
The InChIKey is AHLHQTSLLAXDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-8(2)9(13)5-14-7-12(3,4)17-6-10(14)11(15)16/h8-10H,5-7,13H2,1-4H3,(H,15,16).
What are the key properties of 4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid?
4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid has a molecular weight of 244.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid is sourced from PubChem (CID 68523029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).