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

C12H19NO5 — CID 102944408

IUPAC(2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
SMILESCC1CN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)C(C)CO1
InChIInChI=1S/C12H19NO5/c1-7-6-17-8(2)5-13(7)11(14)9-3-4-10(18-9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)/t7?,8?,9-,10+/m0/s1
InChIKeyHZTLNEPNIGIZNR-HORUIINNSA-N
MW257.29 g/mol
LogP0.25
Rot. Bonds2

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

(2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102944408) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is (2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
PubChem CID102944408
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name(2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid
SMILESCC1CN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)C(C)CO1
InChIInChI=1S/C12H19NO5/c1-7-6-17-8(2)5-13(7)11(14)9-3-4-10(18-9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)/t7?,8?,9-,10+/m0/s1
InChIKeyHZTLNEPNIGIZNR-HORUIINNSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,5-dimethylmorpholin-4-yl)methanone
CID 120787942
(2R,5S)-5-[(3R)-3-methylmorpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 106773953
cyclobutyl-(2,5-dimethylmorpholin-4-yl)methanone
CID 110727653
5-(2-methyl-1,4-oxazepane-4-carbonyl)oxolane-2-carboxylic acid
CID 102688484
(2,5-dimethylmorpholin-4-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119292459
(2,5-dimethylmorpholin-4-yl)-[(2R)-pyrrolidin-2-yl]methanone
CID 103795429
5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687444
5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
5-(2,5-dimethylmorpholine-4-carbonyl)pyrrolidin-2-one
CID 110744411
(2,5-dimethylmorpholin-4-yl)-piperazin-2-ylmethanone
CID 63103811
(2R,5S)-oxolane-2,5-dicarboxylic acid
CID 12667635
2,3-dihydro-1,4-benzodioxin-3-yl-(2,5-dimethylmorpholin-4-yl)methanone
CID 47163096

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid (CID 102944408) is (2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid is CC1CN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)C(C)CO1.
What is the InChIKey of (2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is HZTLNEPNIGIZNR-HORUIINNSA-N. The full InChI is InChI=1S/C12H19NO5/c1-7-6-17-8(2)5-13(7)11(14)9-3-4-10(18-9)12(15)16/h7-10H,3-6H2,1-2H3,(H,15,16)/t7?,8?,9-,10+/m0/s1.
What are the key properties of (2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 257.29 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(2,5-dimethylmorpholine-4-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102944408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).