[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate

C11H17NO4 — CID 168724937

IUPAC[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate
SMILESCC(C)(C)OC(=O)NC12CC(OC=O)(C1)C2
InChIInChI=1S/C11H17NO4/c1-9(2,3)16-8(14)12-10-4-11(5-10,6-10)15-7-13/h7H,4-6H2,1-3H3,(H,12,14)
InChIKeySYRKNBXXEBEEMT-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.36
Rot. Bonds3

About [3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate

[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate (PubChem CID 168724937) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is [3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate.

Molecular Properties

Compound Name[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate
PubChem CID168724937
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate
SMILESCC(C)(C)OC(=O)NC12CC(OC=O)(C1)C2
InChIInChI=1S/C11H17NO4/c1-9(2,3)16-8(14)12-10-4-11(5-10,6-10)15-7-13/h7H,4-6H2,1-3H3,(H,12,14)
InChIKeySYRKNBXXEBEEMT-UHFFFAOYSA-N
XLogP1.36
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[3-(4-formylphenoxy)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 168861673
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] methanesulfonate
CID 175968512
[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclooctyl] formate
CID 135186594
[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] formate
CID 57097698
tert-butyl N-[3-(difluoromethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 138106118
tert-butyl N-[3-(2-amino-2-oxoethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 146204169
tert-butyl N-[3-(acetamidomethyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 169150003
tert-butyl N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]carbamate
CID 95396658
tert-butyl N-[3-(aminomethylsulfonyl)-1-bicyclo[1.1.1]pentanyl]carbamate
CID 156832537
4-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[2.1.1]hexane-1-carboxylic acid
CID 25324806
tert-butyl N-(4-amino-1-bicyclo[2.2.1]heptanyl)carbamate;hydrochloride
CID 134819026
2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl]ethanesulfonic acid
CID 149160052

Frequently Asked Questions

What is the IUPAC name of [3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate?
The IUPAC name of [3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate (CID 168724937) is [3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate.
What is the SMILES notation for [3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate?
The canonical SMILES for [3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate is CC(C)(C)OC(=O)NC12CC(OC=O)(C1)C2.
What is the InChIKey of [3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate?
The InChIKey is SYRKNBXXEBEEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-9(2,3)16-8(14)12-10-4-11(5-10,6-10)15-7-13/h7H,4-6H2,1-3H3,(H,12,14).
What are the key properties of [3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate?
[3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate has a molecular weight of 227.26 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-bicyclo[1.1.1]pentanyl] formate is sourced from PubChem (CID 168724937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).