tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate

C12H22N2O4 — CID 162509759

IUPACtert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate
SMILESCON(C)C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-7-12(4,8-14)9(15)13(5)17-6/h7-8H2,1-6H3
InChIKeyAOWHPZRMBCJWTC-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.26
Rot. Bonds2

About tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate

tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate (PubChem CID 162509759) has the molecular formula C12H22N2O4 and a molecular weight of 258.32 g/mol. Its IUPAC name is tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate
PubChem CID162509759
Molecular FormulaC12H22N2O4
Molecular Weight258.32 g/mol
Exact Mass258.16
IUPAC Nametert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate
SMILESCON(C)C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-7-12(4,8-14)9(15)13(5)17-6/h7-8H2,1-6H3
InChIKeyAOWHPZRMBCJWTC-UHFFFAOYSA-N
XLogP1.26
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 3-methoxy-3-methylazetidine-1-carboxylate
CID 58530249
tert-butyl 1-[methoxy(methyl)carbamoyl]-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 169066779
tert-butyl 3-(1-iodoethenyl)-3-methylazetidine-1-carboxylate
CID 90219761
1-O-tert-butyl 3-O-methyl 5,5-difluoro-3-methylpiperidine-1,3-dicarboxylate
CID 162723963
N-methoxy-N,3-dimethylazetidine-3-carboxamide
CID 130808649
tert-butyl 3a,6a-dimethyl-2,3,4,6-tetrahydro-1H-pyrrolo[3,4-c]pyrrole-5-carboxylate
CID 130003362
tert-butyl 4-[methoxy(methyl)carbamoyl]-2-azabicyclo[2.2.2]octane-2-carboxylate
CID 169066755
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
tert-butyl 6-(dimethylhydrazinylidene)-2-azaspiro[3.3]heptane-2-carboxylate
CID 168975531
1-O-tert-butyl 3-O-methyl (3S)-3-methylpiperidine-1,3-dicarboxylate
CID 86307189
tert-butyl 3,3-bis(methylamino)azetidine-1-carboxylate
CID 174271991
ditert-butyl 6-hydroxy-6-methyl-1,4-diazepane-1,4-dicarboxylate
CID 89456794

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate (CID 162509759) is tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate is CON(C)C(=O)C1(C)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate?
The InChIKey is AOWHPZRMBCJWTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O4/c1-11(2,3)18-10(16)14-7-12(4,8-14)9(15)13(5)17-6/h7-8H2,1-6H3.
What are the key properties of tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate?
tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[methoxy(methyl)carbamoyl]-3-methylazetidine-1-carboxylate is sourced from PubChem (CID 162509759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).