methyl 3-(methylcarbamoyl)morpholine-4-carboxylate

C8H14N2O4 — CID 116657428

IUPACmethyl 3-(methylcarbamoyl)morpholine-4-carboxylate
SMILESCNC(=O)C1COCCN1C(=O)OC
InChIInChI=1S/C8H14N2O4/c1-9-7(11)6-5-14-4-3-10(6)8(12)13-2/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyLQXHUAOIRWCKNF-UHFFFAOYSA-N
MW202.21 g/mol
LogP-0.80
Rot. Bonds1

About methyl 3-(methylcarbamoyl)morpholine-4-carboxylate

methyl 3-(methylcarbamoyl)morpholine-4-carboxylate (PubChem CID 116657428) has the molecular formula C8H14N2O4 and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 3-(methylcarbamoyl)morpholine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(methylcarbamoyl)morpholine-4-carboxylate
PubChem CID116657428
Molecular FormulaC8H14N2O4
Molecular Weight202.21 g/mol
Exact Mass202.10
IUPAC Namemethyl 3-(methylcarbamoyl)morpholine-4-carboxylate
SMILESCNC(=O)C1COCCN1C(=O)OC
InChIInChI=1S/C8H14N2O4/c1-9-7(11)6-5-14-4-3-10(6)8(12)13-2/h6H,3-5H2,1-2H3,(H,9,11)
InChIKeyLQXHUAOIRWCKNF-UHFFFAOYSA-N
XLogP-0.80
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(ethylcarbamoyl)morpholine-4-carboxylate
CID 116657408
4-butanoyl-N-methylmorpholine-3-carboxamide
CID 83104060
4-(2,2-dimethylpropanoyl)-N-methylmorpholine-3-carboxamide
CID 83105243
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
methyl 3-methylmorpholine-4-carboxylate
CID 110292243
4-(5-chloropentanoyl)-N-methylmorpholine-3-carboxamide
CID 83106665
4-[3-(methylcarbamoyl)morpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 83104998
methyl 2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 115606581
(2R,5S)-5-[3-(methylcarbamoyl)morpholine-4-carbonyl]oxolane-2-carboxylic acid
CID 102945606
3,3-dimethyl-2-[3-(methylcarbamoyl)morpholine-4-carbonyl]butanoic acid
CID 116537418
(3S)-4-ethyl-N-methylmorpholine-3-carboxamide
CID 99978843
N-methyl-4-(2-piperazin-1-ylpropanoyl)morpholine-3-carboxamide
CID 83103255

Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylcarbamoyl)morpholine-4-carboxylate?
The IUPAC name of methyl 3-(methylcarbamoyl)morpholine-4-carboxylate (CID 116657428) is methyl 3-(methylcarbamoyl)morpholine-4-carboxylate.
What is the SMILES notation for methyl 3-(methylcarbamoyl)morpholine-4-carboxylate?
The canonical SMILES for methyl 3-(methylcarbamoyl)morpholine-4-carboxylate is CNC(=O)C1COCCN1C(=O)OC.
What is the InChIKey of methyl 3-(methylcarbamoyl)morpholine-4-carboxylate?
The InChIKey is LQXHUAOIRWCKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O4/c1-9-7(11)6-5-14-4-3-10(6)8(12)13-2/h6H,3-5H2,1-2H3,(H,9,11).
What are the key properties of methyl 3-(methylcarbamoyl)morpholine-4-carboxylate?
methyl 3-(methylcarbamoyl)morpholine-4-carboxylate has a molecular weight of 202.21 g/mol, XLogP of -0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylcarbamoyl)morpholine-4-carboxylate is sourced from PubChem (CID 116657428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).