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

C11H17NO5 — CID 106773953

IUPAC(2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid
SMILESC[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H17NO5/c1-7-6-16-5-4-12(7)10(13)8-2-3-9(17-8)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)/t7-,8+,9-/m1/s1
InChIKeyWNWMMOUAZRCXQK-HRDYMLBCSA-N
MW243.26 g/mol
LogP-0.13
Rot. Bonds2

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

(2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid (PubChem CID 106773953) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid
PubChem CID106773953
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid
SMILESC[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H17NO5/c1-7-6-16-5-4-12(7)10(13)8-2-3-9(17-8)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)/t7-,8+,9-/m1/s1
InChIKeyWNWMMOUAZRCXQK-HRDYMLBCSA-N
XLogP-0.13
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 102945606
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-methylmorpholin-4-yl)methanone;hydrochloride
CID 120788095
[(3S)-3-methylmorpholin-4-yl]-(oxan-4-yl)methanone
CID 95614757
[(3S)-3-methylmorpholin-4-yl]-(oxolan-3-yl)methanone
CID 130180210
5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102687423
(3-methylmorpholin-4-yl)-morpholin-2-ylmethanone;hydrochloride
CID 119730616
[(1S,3R)-3-[(3R)-3-methylmorpholine-4-carbonyl]cyclohexyl]-[(3R)-3-methylmorpholin-4-yl]methanone
CID 124866912
7-bicyclo[4.1.0]heptanyl-(3-methylmorpholin-4-yl)methanone
CID 71925557
(3-methylmorpholin-4-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 61156609
(2R,5S)-5-(3,3-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102945062
5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687444

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid (CID 106773953) is (2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid is C[C@@H]1COCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid?
The InChIKey is WNWMMOUAZRCXQK-HRDYMLBCSA-N. The full InChI is InChI=1S/C11H17NO5/c1-7-6-16-5-4-12(7)10(13)8-2-3-9(17-8)11(14)15/h7-9H,2-6H2,1H3,(H,14,15)/t7-,8+,9-/m1/s1.
What are the key properties of (2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 106773953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).