ethane;methyl 4-methylmorpholine-3-carboxylate

C9H19NO3 — CID 144576536

IUPACethane;methyl 4-methylmorpholine-3-carboxylate
SMILESCC.COC(=O)C1COCCN1C
InChIInChI=1S/C7H13NO3.C2H6/c1-8-3-4-11-5-6(8)7(9)10-2;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyOYZUUSIGWCLILX-UHFFFAOYSA-N
MW189.25 g/mol
LogP0.52
Rot. Bonds1

About ethane;methyl 4-methylmorpholine-3-carboxylate

ethane;methyl 4-methylmorpholine-3-carboxylate (PubChem CID 144576536) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is ethane;methyl 4-methylmorpholine-3-carboxylate.

Molecular Properties

Compound Nameethane;methyl 4-methylmorpholine-3-carboxylate
PubChem CID144576536
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Nameethane;methyl 4-methylmorpholine-3-carboxylate
SMILESCC.COC(=O)C1COCCN1C
InChIInChI=1S/C7H13NO3.C2H6/c1-8-3-4-11-5-6(8)7(9)10-2;1-2/h6H,3-5H2,1-2H3;1-2H3
InChIKeyOYZUUSIGWCLILX-UHFFFAOYSA-N
XLogP0.52
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-methyl-1,3-oxazolidine-4-carboxylate
CID 10701946
(3R)-4-methylmorpholine-3-carboxylic acid
CID 66864905
(1-cyclopropyl-2,2,2-trifluoroethyl) 4-methylmorpholine-3-carboxylate
CID 75452277
methyl 4-(3-methylbut-2-enyl)morpholine-3-carboxylate
CID 115670618
methyl 4-(4-hydroxybutyl)morpholine-3-carboxylate
CID 115670600
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl (3R)-4-(2-cyanoethyl)morpholine-3-carboxylate
CID 97300104
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-[3-(dimethylamino)-3-oxopropyl]morpholine-3-carboxylate
CID 115670530
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 4-(4-methylcyclohexyl)morpholine-3-carboxylate
CID 115882935
butoxycarbonyl 4-methylmorpholine-3-carboxylate
CID 174915013

Frequently Asked Questions

What is the IUPAC name of ethane;methyl 4-methylmorpholine-3-carboxylate?
The IUPAC name of ethane;methyl 4-methylmorpholine-3-carboxylate (CID 144576536) is ethane;methyl 4-methylmorpholine-3-carboxylate.
What is the SMILES notation for ethane;methyl 4-methylmorpholine-3-carboxylate?
The canonical SMILES for ethane;methyl 4-methylmorpholine-3-carboxylate is CC.COC(=O)C1COCCN1C.
What is the InChIKey of ethane;methyl 4-methylmorpholine-3-carboxylate?
The InChIKey is OYZUUSIGWCLILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3.C2H6/c1-8-3-4-11-5-6(8)7(9)10-2;1-2/h6H,3-5H2,1-2H3;1-2H3.
What are the key properties of ethane;methyl 4-methylmorpholine-3-carboxylate?
ethane;methyl 4-methylmorpholine-3-carboxylate has a molecular weight of 189.25 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methyl 4-methylmorpholine-3-carboxylate is sourced from PubChem (CID 144576536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).