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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Related Compounds

tert-butyl (1R)-2,2-dichlorocyclopropane-1-carboxylate
CID 7003899
ditert-butyl 1-chlorocyclopropane-1,2-dicarboxylate
CID 23158970
tert-butyl 2-acetyl-2-methylcyclopropane-1-carboxylate
CID 59593712
(1-amino-4-methylsulfonylcyclohexyl) N-tert-butylcarbamate
CID 174529316
2-O-tert-butyl 1-O-methyl 3,3-dimethylcyclopropane-1,2-dicarboxylate
CID 13041622
trans-(1R,2S)-1-fluoro-2-[(2-methylpropan-2-yl)oxycarbonyl]cyclopropane-1-carboxylic acid
CID 102458747
trans-(1S,3R)-1-amino-3-[(2-methylpropan-2-yl)oxycarbonyl]cyclopentane-1-carboxylic acid
CID 69457377
tert-butyl N-(3-amino-3-methylcyclobutyl)carbamate
CID 71280569
cis-tert-butyl (1R,2R)-2-amino-2-formylcyclopentane-1-carboxylate
CID 97115095
tetratert-butyl bicyclo[2.2.1]heptane-2,3,5,6-tetracarboxylate
CID 11431939
tert-butyl 3-amino-3-[(1R)-1-hydroxyethyl]cyclobutane-1-carboxylate
CID 175706579
ditert-butyl 5-(tert-butylamino)cyclohexane-1,3-dicarboxylate
CID 171748856

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).