(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid

C12H18N2O6 — CID 102945606

IUPAC(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
SMILESCNC(=O)C1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H18N2O6/c1-13-10(15)7-6-19-5-4-14(7)11(16)8-2-3-9(20-8)12(17)18/h7-9H,2-6H2,1H3,(H,13,15)(H,17,18)/t7?,8-,9+/m0/s1
InChIKeyOEAMCYAITIJKRU-SXNZSPLWSA-N
MW286.28 g/mol
LogP-1.41
Rot. Bonds3

About (2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid

(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid (PubChem CID 102945606) has the molecular formula C12H18N2O6 and a molecular weight of 286.28 g/mol. Its IUPAC name is (2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
PubChem CID102945606
Molecular FormulaC12H18N2O6
Molecular Weight286.28 g/mol
Exact Mass286.12
IUPAC Name(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
SMILESCNC(=O)C1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H18N2O6/c1-13-10(15)7-6-19-5-4-14(7)11(16)8-2-3-9(20-8)12(17)18/h7-9H,2-6H2,1H3,(H,13,15)(H,17,18)/t7?,8-,9+/m0/s1
InChIKeyOEAMCYAITIJKRU-SXNZSPLWSA-N
XLogP-1.41
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 5-1.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 83104998
5-[2-(methylcarbamoyl)piperidine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688135
(2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 106773953
4-(2-aminocycloheptanecarbonyl)-N-methylmorpholine-3-carboxamide
CID 83098853
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate
CID 116657428
4-(3-aminocyclopentanecarbonyl)-N-methylmorpholine-3-carboxamide
CID 83098008
(3S)-1-[3-(methylcarbamoyl)morpholine-4-carbonyl]piperidine-3-carboxylic acid
CID 83104302
4-[4-(aminomethyl)cyclohexanecarbonyl]-N-methylmorpholine-3-carboxamide
CID 83099425
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
4-[5-(aminomethyl)oxolane-2-carbonyl]-N-cyclopropylmorpholine-3-carboxamide
CID 83099301
4-(4-amino-3-methylcyclohexanecarbonyl)-N-methylmorpholine-3-carboxamide
CID 83104925

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid (CID 102945606) is (2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid is CNC(=O)C1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid?
The InChIKey is OEAMCYAITIJKRU-SXNZSPLWSA-N. The full InChI is InChI=1S/C12H18N2O6/c1-13-10(15)7-6-19-5-4-14(7)11(16)8-2-3-9(20-8)12(17)18/h7-9H,2-6H2,1H3,(H,13,15)(H,17,18)/t7?,8-,9+/m0/s1.
What are the key properties of (2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid has a molecular weight of 286.28 g/mol, XLogP of -1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102945606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).