tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate

C11H19NO3 — CID 115071653

IUPACtert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
SMILESCC(=O)CC1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H19NO3/c1-8(13)7-11(5-6-11)12-9(14)15-10(2,3)4/h5-7H2,1-4H3,(H,12,14)
InChIKeyPHCPCQHUBHNIEP-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.02
Rot. Bonds3

About tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate

tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate (PubChem CID 115071653) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
PubChem CID115071653
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate
SMILESCC(=O)CC1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C11H19NO3/c1-8(13)7-11(5-6-11)12-9(14)15-10(2,3)4/h5-7H2,1-4H3,(H,12,14)
InChIKeyPHCPCQHUBHNIEP-UHFFFAOYSA-N
XLogP2.02
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 ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-(methylaminomethyl)cyclopropyl]carbamate
CID 10798106
methyl 2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]acetate
CID 167738112
tert-butyl N-[1-[dideuterio(iodo)methyl]cyclopropyl]carbamate
CID 175970767
tert-butyl N-[1-[2-(tert-butylamino)-2-oxoethyl]cyclobutyl]carbamate
CID 71982667
tert-butyl [1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]methyl carbonate
CID 25220860
tert-butyl N-[1-[3-(methylamino)propyl]cyclopropyl]carbamate
CID 115071660
tert-butyl N-[1-(2-oxobut-3-enyl)cyclopentyl]carbamate
CID 165465025
tert-butyl N-[1-(2-methylpropyl)cyclobutyl]carbamate
CID 59743771
tert-butyl N-(1-prop-2-enylcyclopentyl)carbamate
CID 91758204
tert-butyl N-[4-(chloromethyl)oxan-4-yl]carbamate
CID 106300353
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]oxetan-2-yl]acetic acid
CID 175188581
tert-butyl N-(1-methylcyclopropyl)carbamate;ethane
CID 144869445

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate (CID 115071653) is tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate is CC(=O)CC1(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate?
The InChIKey is PHCPCQHUBHNIEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(13)7-11(5-6-11)12-9(14)15-10(2,3)4/h5-7H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate?
tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(2-oxopropyl)cyclopropyl]carbamate is sourced from PubChem (CID 115071653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).