6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid

C17H30N2O5 — CID 68534967

IUPAC6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid
SMILESCC(C)[C@H](CN1CC(C)(C)OCC1C(=O)O)NC(=O)C1CCOC1
InChIInChI=1S/C17H30N2O5/c1-11(2)13(18-15(20)12-5-6-23-8-12)7-19-10-17(3,4)24-9-14(19)16(21)22/h11-14H,5-10H2,1-4H3,(H,18,20)(H,21,22)/t12?,13-,14?/m0/s1
InChIKeyGGJKSRJNZVWCSR-MOKVOYLWSA-N
MW342.44 g/mol
LogP0.73
Rot. Bonds6

About 6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid

6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid (PubChem CID 68534967) has the molecular formula C17H30N2O5 and a molecular weight of 342.44 g/mol. Its IUPAC name is 6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid
PubChem CID68534967
Molecular FormulaC17H30N2O5
Molecular Weight342.44 g/mol
Exact Mass342.22
IUPAC Name6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid
SMILESCC(C)[C@H](CN1CC(C)(C)OCC1C(=O)O)NC(=O)C1CCOC1
InChIInChI=1S/C17H30N2O5/c1-11(2)13(18-15(20)12-5-6-23-8-12)7-19-10-17(3,4)24-9-14(19)16(21)22/h11-14H,5-10H2,1-4H3,(H,18,20)(H,21,22)/t12?,13-,14?/m0/s1
InChIKeyGGJKSRJNZVWCSR-MOKVOYLWSA-N
XLogP0.73
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-amino-3-methylbutyl)-6,6-dimethylmorpholine-3-carboxylic acid
CID 68523029
N-(1-iodo-3-methylbutan-2-yl)oxolane-3-carboxamide
CID 107859858
6,6-dimethyl-4-[2-[(2,2,2-trifluoroacetyl)amino]propyl]morpholine-3-carboxylic acid
CID 87484415
4-[(2S)-2-(methanesulfonamido)propyl]-6,6-dimethylmorpholine-3-carboxylic acid
CID 68523816
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
CID 169193374
(3S)-6,6-dimethyl-4-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-3-carboxylic acid
CID 68523362
(3R)-N-[(2R)-heptan-2-yl]oxolane-3-carboxamide
CID 95271153
4-[[1-(dimethylamino)-3-methylbutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782296
N-(4-amino-4-sulfanylidenebutan-2-yl)oxolane-3-carboxamide
CID 62093159
N-[(2R)-2-hydroxypropyl]oxolane-3-carboxamide
CID 83032356
(2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid
CID 107823475
(2S)-3-methyl-2-(oxane-3-carbonylamino)butanoic acid
CID 62759763

Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid?
The IUPAC name of 6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid (CID 68534967) is 6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid?
The canonical SMILES for 6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid is CC(C)[C@H](CN1CC(C)(C)OCC1C(=O)O)NC(=O)C1CCOC1.
What is the InChIKey of 6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid?
The InChIKey is GGJKSRJNZVWCSR-MOKVOYLWSA-N. The full InChI is InChI=1S/C17H30N2O5/c1-11(2)13(18-15(20)12-5-6-23-8-12)7-19-10-17(3,4)24-9-14(19)16(21)22/h11-14H,5-10H2,1-4H3,(H,18,20)(H,21,22)/t12?,13-,14?/m0/s1.
What are the key properties of 6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid?
6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid has a molecular weight of 342.44 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-4-[(2R)-3-methyl-2-(oxolane-3-carbonylamino)butyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 68534967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).