methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate

C12H19NO5 — CID 113247602

IUPACmethyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)C1CCCOC1
InChIInChI=1S/C12H19NO5/c1-16-12(15)10-8-18-6-4-13(10)11(14)9-3-2-5-17-7-9/h9-10H,2-8H2,1H3
InChIKeyICWFAJFFTWGRJL-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.19
Rot. Bonds2

About methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate

methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate (PubChem CID 113247602) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate
PubChem CID113247602
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Namemethyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)C1CCCOC1
InChIInChI=1S/C12H19NO5/c1-16-12(15)10-8-18-6-4-13(10)11(14)9-3-2-5-17-7-9/h9-10H,2-8H2,1H3
InChIKeyICWFAJFFTWGRJL-UHFFFAOYSA-N
XLogP-0.19
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl (3R)-oxane-3-carboxylate
CID 86306897
methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
CID 103837995
(3S)-1-(3-methoxycarbonylmorpholine-4-carbonyl)piperidine-3-carboxylic acid
CID 104774795
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 104774518
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
CID 113451830
3-[(3-methoxycarbonylmorpholine-4-carbonyl)-methylamino]propanoic acid
CID 113451757
methyl 4-(1-cyanocyclobutanecarbonyl)morpholine-3-carboxylate
CID 104774578

Frequently Asked Questions

What is the IUPAC name of methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate (CID 113247602) is methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)C1CCCOC1.
What is the InChIKey of methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate?
The InChIKey is ICWFAJFFTWGRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-16-12(15)10-8-18-6-4-13(10)11(14)9-3-2-5-17-7-9/h9-10H,2-8H2,1H3.
What are the key properties of methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate?
methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of -0.19, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 113247602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).