methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate

C11H17N3O3 — CID 78926351

IUPACmethyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2nccn2C)CCO1
InChIInChI=1S/C11H17N3O3/c1-13-4-3-12-10(13)8-14-5-6-17-9(7-14)11(15)16-2/h3-4,9H,5-8H2,1-2H3
InChIKeyHPTNERGZENJJSU-UHFFFAOYSA-N
MW239.27 g/mol
LogP-0.21
Rot. Bonds3

About methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate

methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate (PubChem CID 78926351) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate
PubChem CID78926351
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate
SMILESCOC(=O)C1CN(Cc2nccn2C)CCO1
InChIInChI=1S/C11H17N3O3/c1-13-4-3-12-10(13)8-14-5-6-17-9(7-14)11(15)16-2/h3-4,9H,5-8H2,1-2H3
InChIKeyHPTNERGZENJJSU-UHFFFAOYSA-N
XLogP-0.21
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(2-ethyl-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxylate
CID 113331028
methyl 4-[2-oxo-2-(pyrimidin-2-ylamino)ethyl]morpholine-2-carboxylate
CID 115537416
methyl 4-[(3,4-dichlorophenyl)methyl]morpholine-2-carboxylate
CID 78926417
methyl 4-ethylmorpholine-2-carboxylate
CID 78926280
1-cyclopentyl-3-[2-[(2R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-2-yl]ethyl]urea
CID 95198135
methyl 4-[[3-(aminomethyl)-5-fluorophenyl]methyl]morpholine-2-carboxylate
CID 115533840
methyl 4-[(2-fluorophenyl)methyl]morpholine-2-carboxylate
CID 78926315
1-[(4aS,9aS)-7-[(1-methylimidazol-2-yl)methyl]-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepin-4-yl]ethanone
CID 97403336
methyl 4-(3-phenoxypropyl)morpholine-2-carboxylate
CID 78926387
4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 86775020
methyl 4-octylmorpholine-2-carboxylate
CID 79002818
methyl 4-(4-phenylbutyl)morpholine-2-carboxylate
CID 114334492

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate?
The IUPAC name of methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate (CID 78926351) is methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate?
The canonical SMILES for methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate is COC(=O)C1CN(Cc2nccn2C)CCO1.
What is the InChIKey of methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate?
The InChIKey is HPTNERGZENJJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-13-4-3-12-10(13)8-14-5-6-17-9(7-14)11(15)16-2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate?
methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate has a molecular weight of 239.27 g/mol, XLogP of -0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methylimidazol-2-yl)methyl]morpholine-2-carboxylate is sourced from PubChem (CID 78926351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).