[2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate

C19H27NO5 — CID 123807882

IUPAC[2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate
SMILESCCC(C)OC(=O)NC1CC1c1ccccc1OC(=O)OC(C)(C)C
InChIInChI=1S/C19H27NO5/c1-6-12(2)23-17(21)20-15-11-14(15)13-9-7-8-10-16(13)24-18(22)25-19(3,4)5/h7-10,12,14-15H,6,11H2,1-5H3,(H,20,21)
InChIKeyOHTICNRIUKEMLO-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.38
Rot. Bonds5

About [2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate

[2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate (PubChem CID 123807882) has the molecular formula C19H27NO5 and a molecular weight of 349.43 g/mol. Its IUPAC name is [2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate.

Molecular Properties

Compound Name[2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate
PubChem CID123807882
Molecular FormulaC19H27NO5
Molecular Weight349.43 g/mol
Exact Mass349.19
IUPAC Name[2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate
SMILESCCC(C)OC(=O)NC1CC1c1ccccc1OC(=O)OC(C)(C)C
InChIInChI=1S/C19H27NO5/c1-6-12(2)23-17(21)20-15-11-14(15)13-9-7-8-10-16(13)24-18(22)25-19(3,4)5/h7-10,12,14-15H,6,11H2,1-5H3,(H,20,21)
InChIKeyOHTICNRIUKEMLO-UHFFFAOYSA-N
XLogP4.38
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate?
The IUPAC name of [2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate (CID 123807882) is [2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate.
What is the SMILES notation for [2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate?
The canonical SMILES for [2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate is CCC(C)OC(=O)NC1CC1c1ccccc1OC(=O)OC(C)(C)C.
What is the InChIKey of [2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate?
The InChIKey is OHTICNRIUKEMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO5/c1-6-12(2)23-17(21)20-15-11-14(15)13-9-7-8-10-16(13)24-18(22)25-19(3,4)5/h7-10,12,14-15H,6,11H2,1-5H3,(H,20,21).
What are the key properties of [2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate?
[2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate has a molecular weight of 349.43 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(butan-2-yloxycarbonylamino)cyclopropyl]phenyl] tert-butyl carbonate is sourced from PubChem (CID 123807882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).