tert-butyl 2-propan-2-ylaziridine-1-carboxylate

C10H19NO2 — CID 73192324

IUPACtert-butyl 2-propan-2-ylaziridine-1-carboxylate
SMILESCC(C)C1CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)8-6-11(8)9(12)13-10(3,4)5/h7-8H,6H2,1-5H3
InChIKeyFZMURXSIJKYEIA-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.26
Rot. Bonds1

About tert-butyl 2-propan-2-ylaziridine-1-carboxylate

tert-butyl 2-propan-2-ylaziridine-1-carboxylate (PubChem CID 73192324) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl 2-propan-2-ylaziridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-propan-2-ylaziridine-1-carboxylate
PubChem CID73192324
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl 2-propan-2-ylaziridine-1-carboxylate
SMILESCC(C)C1CN1C(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-7(2)8-6-11(8)9(12)13-10(3,4)5/h7-8H,6H2,1-5H3
InChIKeyFZMURXSIJKYEIA-UHFFFAOYSA-N
XLogP2.26
TPSA29.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 4-tert-butyl-2-propan-2-ylpiperazine-1-carboxylate
CID 58334515
tert-butyl (2R)-2,4-di(propan-2-yl)piperazine-1-carboxylate
CID 168850650
(2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
CID 162723825
tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 129370244
tert-butyl 4-fluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 102537964
tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate
CID 102085083
(2S,3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-3-propan-2-ylazetidine-2-carboxylic acid
CID 169448535
tert-butyl (2S,4R)-2-(dihydroxymethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 167170201
tert-butyl (2R,4R)-2-(difluoromethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 162342554
tert-butyl (3R)-2,3-dimethylazetidine-1-carboxylate
CID 174284070
tert-butyl (2S)-4-benzyl-2-propan-2-ylpiperazine-1-carboxylate
CID 97290469
tert-butyl (2S,4R)-2-(dihydroxymethyl)-4-methoxypyrrolidine-1-carboxylate
CID 174342667

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-propan-2-ylaziridine-1-carboxylate?
The IUPAC name of tert-butyl 2-propan-2-ylaziridine-1-carboxylate (CID 73192324) is tert-butyl 2-propan-2-ylaziridine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-propan-2-ylaziridine-1-carboxylate?
The canonical SMILES for tert-butyl 2-propan-2-ylaziridine-1-carboxylate is CC(C)C1CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-propan-2-ylaziridine-1-carboxylate?
The InChIKey is FZMURXSIJKYEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)8-6-11(8)9(12)13-10(3,4)5/h7-8H,6H2,1-5H3.
What are the key properties of tert-butyl 2-propan-2-ylaziridine-1-carboxylate?
tert-butyl 2-propan-2-ylaziridine-1-carboxylate has a molecular weight of 185.27 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-propan-2-ylaziridine-1-carboxylate is sourced from PubChem (CID 73192324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).