methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate

C12H19NO4 — CID 103837995

IUPACmethyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)C1CC1(C)C
InChIInChI=1S/C12H19NO4/c1-12(2)6-8(12)10(14)13-4-5-17-7-9(13)11(15)16-3/h8-9H,4-7H2,1-3H3
InChIKeySCMLZQCJJRXOQK-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.43
Rot. Bonds2

About methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate

methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate (PubChem CID 103837995) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
PubChem CID103837995
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)C1CC1(C)C
InChIInChI=1S/C12H19NO4/c1-12(2)6-8(12)10(14)13-4-5-17-7-9(13)11(15)16-3/h8-9H,4-7H2,1-3H3
InChIKeySCMLZQCJJRXOQK-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-methoxycarbonylmorpholine-4-carbonyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 104774518
methyl 4-(oxane-3-carbonyl)morpholine-3-carboxylate
CID 113247602
methyl 4-(2,2-dimethylpropanoyl)morpholine-3-carboxylate
CID 104774844
methyl 4-(2,2-difluoroacetyl)morpholine-3-carboxylate
CID 103514384
(2,2-dimethylcyclopropyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107002178
methyl 4-(2,3-dimethylbutanoyl)morpholine-3-carboxylate
CID 115670189
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261
methyl 4-(4-methylpentanoyl)morpholine-3-carboxylate
CID 115670163
methyl 4-(1-cyanocyclobutanecarbonyl)morpholine-3-carboxylate
CID 104774578
ethane;methyl 4-methylmorpholine-3-carboxylate
CID 144576536
methyl 4-(imidazole-1-carbonyl)morpholine-3-carboxylate
CID 104775330
3-O-methyl 4-O-prop-2-enyl morpholine-3,4-dicarboxylate
CID 104774851

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate (CID 103837995) is methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)C1CC1(C)C.
What is the InChIKey of methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate?
The InChIKey is SCMLZQCJJRXOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-12(2)6-8(12)10(14)13-4-5-17-7-9(13)11(15)16-3/h8-9H,4-7H2,1-3H3.
What are the key properties of methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate?
methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,2-dimethylcyclopropanecarbonyl)morpholine-3-carboxylate is sourced from PubChem (CID 103837995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).