tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate

C11H21NO2 — CID 20811777

IUPACtert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
SMILESCC(C)C1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H21NO2/c1-8(2)11(6-7-11)12-9(13)14-10(3,4)5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyZXVORZUKRZRPFH-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.70
Rot. Bonds2

About tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate

tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate (PubChem CID 20811777) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
PubChem CID20811777
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Nametert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
SMILESCC(C)C1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H21NO2/c1-8(2)11(6-7-11)12-9(13)14-10(3,4)5/h8H,6-7H2,1-5H3,(H,12,13)
InChIKeyZXVORZUKRZRPFH-UHFFFAOYSA-N
XLogP2.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[1-(1-hydroxy-2-methylpropyl)cyclopropyl]carbamate
CID 167733960
tert-butyl N-[1-(1-amino-2,2,2-trifluoroethyl)cyclopropyl]carbamate
CID 115047302
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445
tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate
CID 67385903
3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]butanoic acid
CID 164663917
tert-butyl N-[4-(1-hydroxyethyl)oxepan-4-yl]carbamate
CID 170203824
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-(1-carbamothioylcyclopropyl)carbamate
CID 58431174
[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
CID 141155795
2-adamantyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-propan-2-ylpyrrolidine-1-carboxylate
CID 58254775
tert-butyl N-(1,4-dimethylpiperidin-4-yl)carbamate;ethane
CID 142326878
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxocyclopropane-1-carboxylic acid
CID 67416997

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate?
The IUPAC name of tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate (CID 20811777) is tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate?
The canonical SMILES for tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate is CC(C)C1(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate?
The InChIKey is ZXVORZUKRZRPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-8(2)11(6-7-11)12-9(13)14-10(3,4)5/h8H,6-7H2,1-5H3,(H,12,13).
What are the key properties of tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate?
tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate is sourced from PubChem (CID 20811777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).