tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate

C13H22N2O4 — CID 67385903

IUPACtert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(O)C(=O)NC2CC2)CC1
InChIInChI=1S/C13H22N2O4/c1-12(2,3)19-11(18)15-13(6-7-13)9(16)10(17)14-8-4-5-8/h8-9,16H,4-7H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyHXYJLIIYLOLTKS-UHFFFAOYSA-N
MW270.33 g/mol
LogP0.68
Rot. Bonds4

About tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate

tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate (PubChem CID 67385903) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate
PubChem CID67385903
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Nametert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate
SMILESCC(C)(C)OC(=O)NC1(C(O)C(=O)NC2CC2)CC1
InChIInChI=1S/C13H22N2O4/c1-12(2,3)19-11(18)15-13(6-7-13)9(16)10(17)14-8-4-5-8/h8-9,16H,4-7H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyHXYJLIIYLOLTKS-UHFFFAOYSA-N
XLogP0.68
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(cyclopropylamino)-1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
CID 141155795
tert-butyl N-[1-[1-(cyclopropylamino)-1-oxobutan-2-yl]-3-ethylcyclobutyl]carbamate
CID 91256429
tert-butyl N-(1-propan-2-ylcyclopropyl)carbamate
CID 20811777
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
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
tert-butyl N-[4-(tert-butylamino)cyclohexyl]carbamate
CID 69286066
tert-butyl N-(4-arsanylcyclohexyl)carbamate
CID 173124516
tert-butyl N-[(5S)-6-(cyclopropylamino)-5-hydroxy-6-oxohexyl]carbamate
CID 66786848
[2-(cyclopropylamino)-1-[(1S,2R)-2-ethyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropyl]-2-oxoethyl] acetate
CID 59248026
tert-butyl N-[1-[1-hydroxy-2-[(1-methylpyrazol-3-yl)amino]-2-oxoethyl]cyclobutyl]carbamate
CID 67230308
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate (CID 67385903) is tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate is CC(C)(C)OC(=O)NC1(C(O)C(=O)NC2CC2)CC1.
What is the InChIKey of tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate?
The InChIKey is HXYJLIIYLOLTKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-12(2,3)19-11(18)15-13(6-7-13)9(16)10(17)14-8-4-5-8/h8-9,16H,4-7H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate?
tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate has a molecular weight of 270.33 g/mol, XLogP of 0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[2-(cyclopropylamino)-1-hydroxy-2-oxoethyl]cyclopropyl]carbamate is sourced from PubChem (CID 67385903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).