(2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid

C11H16F3NO5 — CID 118313489

IUPAC(2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)O[C@@H](C(=O)O)C1
InChIInChI=1S/C11H16F3NO5/c1-10(2,3)20-9(18)15-4-6(8(16)17)19-7(5-15)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7+/m1/s1
InChIKeyJNLBYSPFJKEBGY-RQJHMYQMSA-N
MW299.25 g/mol
LogP1.64
Rot. Bonds1

About (2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid

(2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid (PubChem CID 118313489) has the molecular formula C11H16F3NO5 and a molecular weight of 299.25 g/mol. Its IUPAC name is (2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid
PubChem CID118313489
Molecular FormulaC11H16F3NO5
Molecular Weight299.25 g/mol
Exact Mass299.10
IUPAC Name(2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)O[C@@H](C(=O)O)C1
InChIInChI=1S/C11H16F3NO5/c1-10(2,3)20-9(18)15-4-6(8(16)17)19-7(5-15)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7+/m1/s1
InChIKeyJNLBYSPFJKEBGY-RQJHMYQMSA-N
XLogP1.64
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-[(tert-butoxy)carbonyl]morpholine-2-carboxylic acid
CID 1519383
4-((Tert-butoxy)carbonyl)morpholine-2-carboxylic acid
CID 2755965
(2R)-4-((tert-butoxy)carbonyl)morpholine-2-carboxylic acid
CID 6559076
(S)-4-(tert-Butoxycarbonyl)-1,4-oxazepane-2-carboxylic acid
CID 71305948
4-(tert-Butoxycarbonyl)-2-methylmorpholine-2-carboxylic acid
CID 51358232
4-((Tert-butoxy)carbonyl)-1,4-oxazepane-2-carboxylic acid
CID 56972835
(2R,5S)-4-[(tert-butoxy)carbonyl]-5-methylmorpholine-2-carboxylic acid
CID 71226059
(2R)-4-((tert-butoxy)carbonyl)-1,4-oxazepane-2-carboxylic acid
CID 71305949
(R)-4-(Tert-butoxycarbonyl)-6,6-dimethylmorpholine-2-carboxylic acid
CID 71742810
(2S)-4-((tert-butoxy)carbonyl)-6,6-dimethylmorpholine-2-carboxylic acid
CID 71742812
4-[(Tert-butoxy)carbonyl]-6,6-dimethylmorpholine-2-carboxylic acid
CID 71742817
rac-(2R,6R)-4-((tert-butoxy)carbonyl)-6-methylmorpholine-2-carboxylic acid
CID 78357941

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid?
The IUPAC name of (2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid (CID 118313489) is (2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid.
What is the SMILES notation for (2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid?
The canonical SMILES for (2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid is CC(C)(C)OC(=O)N1C[C@@H](C(F)(F)F)O[C@@H](C(=O)O)C1.
What is the InChIKey of (2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid?
The InChIKey is JNLBYSPFJKEBGY-RQJHMYQMSA-N. The full InChI is InChI=1S/C11H16F3NO5/c1-10(2,3)20-9(18)15-4-6(8(16)17)19-7(5-15)11(12,13)14/h6-7H,4-5H2,1-3H3,(H,16,17)/t6-,7+/m1/s1.
What are the key properties of (2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid?
(2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid has a molecular weight of 299.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-(trifluoromethyl)morpholine-2-carboxylic acid is sourced from PubChem (CID 118313489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).