(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid

C12H15NO5 — CID 124513696

IUPAC(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)c(C)o1
InChIInChI=1S/C12H15NO5/c1-7-5-9(8(2)18-7)11(14)13-3-4-17-6-10(13)12(15)16/h5,10H,3-4,6H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyZLLDBYSHBBMPAX-SNVBAGLBSA-N
MW253.25 g/mol
LogP0.82
Rot. Bonds2

About (3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid

(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid (PubChem CID 124513696) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is (3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
PubChem CID124513696
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid
SMILESCc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)c(C)o1
InChIInChI=1S/C12H15NO5/c1-7-5-9(8(2)18-7)11(14)13-3-4-17-6-10(13)12(15)16/h5,10H,3-4,6H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyZLLDBYSHBBMPAX-SNVBAGLBSA-N
XLogP0.82
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,6-dimethylpyridazine-4-carbonyl)morpholine-3-carboxylic acid
CID 113439193
4-[6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl]morpholine-3-carboxylic acid
CID 120521695
(2R,4R)-4-(dimethylamino)-1-(2,5-dimethylfuran-3-carbonyl)piperidine-2-carboxylic acid
CID 97468816
4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-3-carboxylic acid
CID 115730889
4-(3-methyl-1-propan-2-ylpyrazole-4-carbonyl)morpholine-3-carboxylic acid
CID 136551289
3-(2,5-dimethylfuran-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 24692471
(3S)-4-(2-methyl-5-methylsulfonylbenzoyl)morpholine-3-carboxylic acid
CID 125118663
(3S)-4-(2-ethylbenzoyl)morpholine-3-carboxylic acid
CID 124596295
4-(1-cyclohexyl-2,5-dimethylpyrrole-3-carbonyl)morpholine-3-carboxylic acid
CID 119216360
4-(3,5-dihydroxybenzoyl)morpholine-3-carboxylic acid
CID 107702659
(3R)-4-(4-fluoro-3-methylbenzoyl)morpholine-3-carboxylic acid
CID 124513507
4-(3-bromo-5-methylbenzoyl)morpholine-3-carboxylic acid
CID 113460502

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid?
The IUPAC name of (3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid (CID 124513696) is (3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid.
What is the SMILES notation for (3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid?
The canonical SMILES for (3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid is Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)O)c(C)o1.
What is the InChIKey of (3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid?
The InChIKey is ZLLDBYSHBBMPAX-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H15NO5/c1-7-5-9(8(2)18-7)11(14)13-3-4-17-6-10(13)12(15)16/h5,10H,3-4,6H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid?
(3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid has a molecular weight of 253.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(2,5-dimethylfuran-3-carbonyl)morpholine-3-carboxylic acid is sourced from PubChem (CID 124513696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).