methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate

C10H13N3O4 — CID 104775330

IUPACmethyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)n1ccnc1
InChIInChI=1S/C10H13N3O4/c1-16-9(14)8-6-17-5-4-13(8)10(15)12-3-2-11-7-12/h2-3,7-8H,4-6H2,1H3
InChIKeyMJWVQMKDHMLFSS-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.28
Rot. Bonds1

About methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate

methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate (PubChem CID 104775330) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate
PubChem CID104775330
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Namemethyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)n1ccnc1
InChIInChI=1S/C10H13N3O4/c1-16-9(14)8-6-17-5-4-13(8)10(15)12-3-2-11-7-12/h2-3,7-8H,4-6H2,1H3
InChIKeyMJWVQMKDHMLFSS-UHFFFAOYSA-N
XLogP-0.28
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-(imidazole-1-carbonyl)morpholine-3-carboxamide
CID 83105085
methyl 4-[2-[methyl(pyrimidin-2-yl)amino]acetyl]morpholine-3-carboxylate
CID 104774871
methyl 4-[2-(triazol-1-yl)acetyl]morpholine-3-carboxylate
CID 113251792
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
CID 103837995
methyl 4-(2-pyridin-4-ylsulfanylacetyl)morpholine-3-carboxylate
CID 115669932
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
methyl 4-(3-fluoropyridine-4-carbonyl)morpholine-3-carboxylate
CID 115670106
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
methyl 4-(4-methyl-1,2-oxazole-5-carbonyl)morpholine-3-carboxylate
CID 115670360
methyl 4-[(E)-3-pyridin-3-ylprop-2-enoyl]morpholine-3-carboxylate
CID 115670093
methyl 4-(4-chloropyridine-2-carbonyl)morpholine-3-carboxylate
CID 115670216

Frequently Asked Questions

What is the IUPAC name of methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate (CID 104775330) is methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)n1ccnc1.
What is the InChIKey of methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate?
The InChIKey is MJWVQMKDHMLFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-16-9(14)8-6-17-5-4-13(8)10(15)12-3-2-11-7-12/h2-3,7-8H,4-6H2,1H3.
What are the key properties of methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate?
methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate has a molecular weight of 239.23 g/mol, XLogP of -0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 104775330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).