methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate

C12H20N2O4 — CID 89049260

IUPACmethyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate
SMILESCOC(=O)C1CN1C(=O)CN1CCOC(C)(C)C1
InChIInChI=1S/C12H20N2O4/c1-12(2)8-13(4-5-18-12)7-10(15)14-6-9(14)11(16)17-3/h9H,4-8H2,1-3H3
InChIKeyYEJDMCPYMOWMEX-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.52
Rot. Bonds3

About methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate

methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate (PubChem CID 89049260) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate
PubChem CID89049260
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Namemethyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate
SMILESCOC(=O)C1CN1C(=O)CN1CCOC(C)(C)C1
InChIInChI=1S/C12H20N2O4/c1-12(2)8-13(4-5-18-12)7-10(15)14-6-9(14)11(16)17-3/h9H,4-8H2,1-3H3
InChIKeyYEJDMCPYMOWMEX-UHFFFAOYSA-N
XLogP-0.52
TPSA58.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

2-(2,2-dimethylmorpholin-4-yl)-1-piperidin-1-ylethanone
CID 70907050
ethyl 4-(2,2-dimethylmorpholin-4-yl)-3-oxobutanoate
CID 63898681
1-[(2,2-dimethylmorpholin-4-yl)methyl]cyclopropan-1-amine
CID 65459106
4-O-[2-(2,2-dimethylmorpholin-4-yl)ethyl] 1-O-methyl (E)-but-2-enedioate;hydrochloride
CID 90411129
2-(2,2-dimethyl-1,4-oxazepan-4-yl)acetamide
CID 130684724
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-(2,2-dimethylmorpholin-4-yl)acetamide
CID 86984171
2-(2,2-dimethylmorpholin-4-yl)-N'-[2-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-2-oxoethoxy]ethanimidamide
CID 95339706
2-(2,2-dimethylmorpholin-4-yl)-1-(2,4,6-trimethylphenyl)ethanone
CID 43797424
4-(2,2-dimethylmorpholin-4-yl)butan-1-ol
CID 43593140
4-(2,2-dimethylmorpholin-4-yl)butanoic acid
CID 43593005
1-(2,6-difluorophenyl)-2-(2,2-dimethylmorpholin-4-yl)ethanone
CID 43797360
(2R)-N,2-dimethyl-4-(2-oxo-2-piperidin-1-ylethyl)morpholine-2-carboxamide
CID 124976279

Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate?
The IUPAC name of methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate (CID 89049260) is methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate.
What is the SMILES notation for methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate?
The canonical SMILES for methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate is COC(=O)C1CN1C(=O)CN1CCOC(C)(C)C1.
What is the InChIKey of methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate?
The InChIKey is YEJDMCPYMOWMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(2)8-13(4-5-18-12)7-10(15)14-6-9(14)11(16)17-3/h9H,4-8H2,1-3H3.
What are the key properties of methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate?
methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate has a molecular weight of 256.30 g/mol, XLogP of -0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(2,2-dimethylmorpholin-4-yl)acetyl]aziridine-2-carboxylate is sourced from PubChem (CID 89049260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).