tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate

C10H17NO3 — CID 131849638

IUPACtert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@@H]1CC=O
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-8-6-7(8)4-5-12/h5,7-8H,4,6H2,1-3H3,(H,11,13)/t7-,8-/m0/s1
InChIKeyCXZDFQCLYKTXHY-YUMQZZPRSA-N
MW199.25 g/mol
LogP1.49
Rot. Bonds3

About tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate

tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate (PubChem CID 131849638) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate
PubChem CID131849638
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@@H]1CC=O
InChIInChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-8-6-7(8)4-5-12/h5,7-8H,4,6H2,1-3H3,(H,11,13)/t7-,8-/m0/s1
InChIKeyCXZDFQCLYKTXHY-YUMQZZPRSA-N
XLogP1.49
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.49
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

tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]acetate
CID 85167368
tert-butyl N-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]carbamate
CID 131121227
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1S,2S,3S,4R)-3-(2-oxoethyl)-2-bicyclo[2.2.1]heptanyl]carbamate
CID 90942911
tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate
CID 174616207
tert-butyl N-[(1S,2S)-2-(2-phenylethyl)cyclopropyl]carbamate
CID 178006436
tert-butyl N-[4-(cyanomethyl)-2-bicyclo[3.1.1]heptanyl]carbamate
CID 170384776
tert-butyl N-[(2S,5R)-5-fluoro-2-(hydroxymethyl)cyclohexyl]carbamate
CID 170214563
tert-butyl N-(3-ethyl-4-methylcyclopentyl)carbamate;formic acid
CID 174621376
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate (CID 131849638) is tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@@H]1CC=O.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate?
The InChIKey is CXZDFQCLYKTXHY-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-8-6-7(8)4-5-12/h5,7-8H,4,6H2,1-3H3,(H,11,13)/t7-,8-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate?
tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate has a molecular weight of 199.25 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate is sourced from PubChem (CID 131849638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).