(2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid

C12H19NO5 — CID 102945062

IUPAC(2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
SMILESCC1(C)COCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H19NO5/c1-12(2)7-17-6-5-13(12)10(14)8-3-4-9(18-8)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)/t8-,9+/m0/s1
InChIKeySQAQSIBVGALMMS-DTWKUNHWSA-N
MW257.29 g/mol
LogP0.26
Rot. Bonds2

About (2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid

(2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102945062) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
PubChem CID102945062
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name(2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
SMILESCC1(C)COCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H19NO5/c1-12(2)7-17-6-5-13(12)10(14)8-3-4-9(18-8)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)/t8-,9+/m0/s1
InChIKeySQAQSIBVGALMMS-DTWKUNHWSA-N
XLogP0.26
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102687423
1-(3,3-dimethylmorpholine-4-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 55230340
(4-amino-3-methylcyclohexyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 55114924
(2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 106773953
(3,3-dimethylmorpholin-4-yl)-(2-methyloxan-4-yl)methanone
CID 127749948
(3,3-dimethylmorpholin-4-yl)-(3-methylpyrrolidin-2-yl)methanone
CID 102779203
(2R)-1-(3,3-dimethylmorpholine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 55149679
(3,3-dimethylmorpholin-4-yl)-piperidin-1-ylmethanone
CID 115592934
(3,3-dimethylmorpholin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 116654559
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
(5-ethyloxolan-2-yl)-(8-oxa-5-azaspiro[3.5]nonan-5-yl)methanone
CID 127631055
(2R,5S)-5-(4-acetyl-1,4-diazepane-1-carbonyl)oxolane-2-carboxylic acid
CID 102945101

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid (CID 102945062) is (2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid is CC1(C)COCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is SQAQSIBVGALMMS-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H19NO5/c1-12(2)7-17-6-5-13(12)10(14)8-3-4-9(18-8)11(15)16/h8-9H,3-7H2,1-2H3,(H,15,16)/t8-,9+/m0/s1.
What are the key properties of (2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102945062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).