tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate

C13H24N2O4 — CID 174616209

IUPACtert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate
SMILESCC(C)(C)NC(=O)OC1(N)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-11(2,3)15-10(17)19-13(14)7-8(13)9(16)18-12(4,5)6/h8H,7,14H2,1-6H3,(H,15,17)
InChIKeyYSUIGDCARJDJHX-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.53
Rot. Bonds2

About tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate

tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate (PubChem CID 174616209) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate
PubChem CID174616209
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate
SMILESCC(C)(C)NC(=O)OC1(N)CC1C(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O4/c1-11(2,3)15-10(17)19-13(14)7-8(13)9(16)18-12(4,5)6/h8H,7,14H2,1-6H3,(H,15,17)
InChIKeyYSUIGDCARJDJHX-UHFFFAOYSA-N
XLogP1.53
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate?
The IUPAC name of tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate (CID 174616209) is tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate.
What is the SMILES notation for tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate?
The canonical SMILES for tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate is CC(C)(C)NC(=O)OC1(N)CC1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate?
The InChIKey is YSUIGDCARJDJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-11(2,3)15-10(17)19-13(14)7-8(13)9(16)18-12(4,5)6/h8H,7,14H2,1-6H3,(H,15,17).
What are the key properties of tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate?
tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-amino-2-(tert-butylcarbamoyloxy)cyclopropane-1-carboxylate is sourced from PubChem (CID 174616209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).