tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate

C13H24N2O3 — CID 107255518

IUPACtert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
SMILESCCNC1C(NC(=O)OC(C)(C)C)C2CCOC21
InChIInChI=1S/C13H24N2O3/c1-5-14-10-9(8-6-7-17-11(8)10)15-12(16)18-13(2,3)4/h8-11,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyZCQHYJKQFNIYRJ-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.28
Rot. Bonds3

About tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate

tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate (PubChem CID 107255518) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
PubChem CID107255518
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
SMILESCCNC1C(NC(=O)OC(C)(C)C)C2CCOC21
InChIInChI=1S/C13H24N2O3/c1-5-14-10-9(8-6-7-17-11(8)10)15-12(16)18-13(2,3)4/h8-11,14H,5-7H2,1-4H3,(H,15,16)
InChIKeyZCQHYJKQFNIYRJ-UHFFFAOYSA-N
XLogP1.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[7-(pentan-2-ylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255519
tert-butyl N-[8-(2-ethylbutylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255699
tert-butyl N-[8-(pentylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255644
tert-butyl N-[7-(cyclohex-3-en-1-ylmethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255572
tert-butyl N-[8-(oxolan-2-ylmethylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255651
tert-butyl N-[7-(hexan-2-ylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255449
tert-butyl N-[7-[(5-bromothiophen-2-yl)methylamino]-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255611
tert-butyl N-[7-[(1-oxothian-4-yl)amino]-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255498
4-[[6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxabicyclo[3.2.0]heptan-7-yl]amino]pentanoic acid
CID 107255454
tert-butyl N-[7-[(3-methylimidazol-4-yl)methylamino]-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate
CID 107255619
tert-butyl N-[8-[(3-methyloxetan-3-yl)methylamino]-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255683
tert-butyl N-[8-(thiolan-3-ylmethylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255682

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate?
The IUPAC name of tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate (CID 107255518) is tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate.
What is the SMILES notation for tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate?
The canonical SMILES for tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate is CCNC1C(NC(=O)OC(C)(C)C)C2CCOC21.
What is the InChIKey of tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate?
The InChIKey is ZCQHYJKQFNIYRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-5-14-10-9(8-6-7-17-11(8)10)15-12(16)18-13(2,3)4/h8-11,14H,5-7H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate?
tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate has a molecular weight of 256.35 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[7-(ethylamino)-2-oxabicyclo[3.2.0]heptan-6-yl]carbamate is sourced from PubChem (CID 107255518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).