tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate

C13H24N2O4 — CID 174616207

IUPACtert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H]1CC(C)(C)OC(N)=O
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-9-6-8(9)7-13(4,5)18-10(14)16/h8-9H,6-7H2,1-5H3,(H2,14,16)(H,15,17)/t8-,9-/m0/s1
InChIKeyQXEPYQIRGOZLFH-IUCAKERBSA-N
MW272.34 g/mol
LogP2.16
Rot. Bonds4

About tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate

tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate (PubChem CID 174616207) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate
PubChem CID174616207
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C[C@H]1CC(C)(C)OC(N)=O
InChIInChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-9-6-8(9)7-13(4,5)18-10(14)16/h8-9H,6-7H2,1-5H3,(H2,14,16)(H,15,17)/t8-,9-/m0/s1
InChIKeyQXEPYQIRGOZLFH-IUCAKERBSA-N
XLogP2.16
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-(hydroxymethyl)cyclopropyl]carbamate
CID 71775631
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1S,2R)-2-(2-oxoethyl)cyclopropyl]carbamate
CID 131849638
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]acetate
CID 85167368
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(1R,2R,3S)-2,3-bis(hydroxymethyl)cyclobutyl]carbamate
CID 131121227
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
tert-butyl N-[(4R,5R)-4,5-bis(azidomethyl)-2-hydroxycyclohexyl]carbamate
CID 25215650
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1S,2S)-2-(2-phenylethyl)cyclopropyl]carbamate
CID 178006436
tert-butyl N-[(2S,5R)-5-fluoro-2-(hydroxymethyl)cyclohexyl]carbamate
CID 170214563

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate (CID 174616207) is tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate is CC(C)(C)OC(=O)N[C@H]1C[C@H]1CC(C)(C)OC(N)=O.
What is the InChIKey of tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate?
The InChIKey is QXEPYQIRGOZLFH-IUCAKERBSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-12(2,3)19-11(17)15-9-6-8(9)7-13(4,5)18-10(14)16/h8-9H,6-7H2,1-5H3,(H2,14,16)(H,15,17)/t8-,9-/m0/s1.
What are the key properties of tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate?
tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate has a molecular weight of 272.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2S)-2-(2-carbamoyloxy-2-methylpropyl)cyclopropyl]carbamate is sourced from PubChem (CID 174616207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).