tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate

C11H19NO3 — CID 84723535

IUPACtert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C=O)C1CC1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-11(4,7-13)8-5-6-8/h7-8H,5-6H2,1-4H3,(H,12,14)
InChIKeyCQANXBDLCDLRFE-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.88
Rot. Bonds3

About tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate

tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate (PubChem CID 84723535) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate
PubChem CID84723535
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C=O)C1CC1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-11(4,7-13)8-5-6-8/h7-8H,5-6H2,1-4H3,(H,12,14)
InChIKeyCQANXBDLCDLRFE-UHFFFAOYSA-N
XLogP1.88
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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CID 118990032
dimethyl 2-formyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanedioate
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tert-butyl N-(2-methyl-1,3-dioxobutan-2-yl)carbamate
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tert-butyl N-(2-methyl-1-oxobut-3-en-2-yl)carbamate
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(4-tert-butylcyclohexyl) 2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162724636
tert-butyl N-[2-(4-oxocyclohexyl)propan-2-yl]carbamate
CID 67075173
tert-butyl N-(1-amino-3-cyclopropyl-2-methylpropan-2-yl)carbamate
CID 84726052
tert-butyl N-(2-methyl-4-oxobutan-2-yl)carbamate
CID 11788901
tert-butyl N-[2-methyl-1-[[4-(trifluoromethyl)cyclohexyl]amino]propan-2-yl]carbamate
CID 104624550
tert-butyl N-[2-methyl-1-[(4-methylcyclohexyl)methylamino]propan-2-yl]carbamate
CID 107249903
tert-butyl N-(2,4-dimethyl-1-oxopentan-2-yl)carbamate
CID 84726178

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate?
The IUPAC name of tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate (CID 84723535) is tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate is CC(C)(C)OC(=O)NC(C)(C=O)C1CC1.
What is the InChIKey of tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate?
The InChIKey is CQANXBDLCDLRFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)15-9(14)12-11(4,7-13)8-5-6-8/h7-8H,5-6H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate?
tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-cyclopropyl-1-oxopropan-2-yl)carbamate is sourced from PubChem (CID 84723535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).