tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate

C15H27N3O3 — CID 59094969

IUPACtert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate
SMILESCC1C(C)N1C(=O)[C@H]1[C@H](N)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O3/c1-9-10(2)18(9)13(19)12-11(16)7-6-8-17(12)14(20)21-15(3,4)5/h9-12H,6-8,16H2,1-5H3/t9?,10?,11-,12-,18?/m1/s1
InChIKeyQTYROJDKOUZODZ-QTZNPIBFSA-N
MW297.40 g/mol
LogP1.33
Rot. Bonds1

About tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate

tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate (PubChem CID 59094969) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate
PubChem CID59094969
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate
SMILESCC1C(C)N1C(=O)[C@H]1[C@H](N)CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H27N3O3/c1-9-10(2)18(9)13(19)12-11(16)7-6-8-17(12)14(20)21-15(3,4)5/h9-12H,6-8,16H2,1-5H3/t9?,10?,11-,12-,18?/m1/s1
InChIKeyQTYROJDKOUZODZ-QTZNPIBFSA-N
XLogP1.33
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2R,3R)-3-amino-2-methylpiperidine-1-carboxylate;hydrochloride
CID 166638368
1-O-tert-butyl 2-O-ethyl (2S,3R)-3-aminopiperidine-1,2-dicarboxylate
CID 163323409
(2R,3S)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(2S,3R)-3-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid
CID 163339159
tert-butyl (2S)-3-amino-2-methylazetidine-1-carboxylate
CID 135397248
tert-butyl 3-amino-2-(fluoromethyl)piperidine-1-carboxylate
CID 155895330
tert-butyl (2S)-2-[(1R,2S)-2-aminocyclohexyl]pyrrolidine-1-carboxylate
CID 97159702
tert-butyl (2R,3S)-3-hydroxy-2-methylpiperidine-1-carboxylate
CID 11148613
1-O-tert-butyl 2-O-methyl 3-aminopyrrolidine-1,2-dicarboxylate;hydrochloride
CID 138115054
tert-butyl (2S,3S)-2-[(2R)-2-carbamoylpyrrolidine-1-carbonyl]-3-methylpyrrolidine-1-carboxylate
CID 101037596
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 3,4-diaminoazepane-1-carboxylate
CID 175539972
tert-butyl 2-(2-chloroacetyl)-3-methylpiperidine-1-carboxylate
CID 107072729

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate (CID 59094969) is tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate is CC1C(C)N1C(=O)[C@H]1[C@H](N)CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate?
The InChIKey is QTYROJDKOUZODZ-QTZNPIBFSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-9-10(2)18(9)13(19)12-11(16)7-6-8-17(12)14(20)21-15(3,4)5/h9-12H,6-8,16H2,1-5H3/t9?,10?,11-,12-,18?/m1/s1.
What are the key properties of tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate?
tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,3R)-3-amino-2-(2,3-dimethylaziridine-1-carbonyl)piperidine-1-carboxylate is sourced from PubChem (CID 59094969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).