tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate

C13H21FN2O5 — CID 70333270

IUPACtert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1C[C@@H](F)[C@H]2OC[C@H](O)[C@H]21
InChIInChI=1S/C13H21FN2O5/c1-13(2,3)21-12(19)15-4-9(18)16-5-7(14)11-10(16)8(17)6-20-11/h7-8,10-11,17H,4-6H2,1-3H3,(H,15,19)/t7-,8+,10-,11-/m1/s1
InChIKeyOAEOPBUTBDORHN-JZSSXWJLSA-N
MW304.32 g/mol
LogP-0.18
Rot. Bonds2

About tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate

tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate (PubChem CID 70333270) has the molecular formula C13H21FN2O5 and a molecular weight of 304.32 g/mol. Its IUPAC name is tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate
PubChem CID70333270
Molecular FormulaC13H21FN2O5
Molecular Weight304.32 g/mol
Exact Mass304.14
IUPAC Nametert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate
SMILESCC(C)(C)OC(=O)NCC(=O)N1C[C@@H](F)[C@H]2OC[C@H](O)[C@H]21
InChIInChI=1S/C13H21FN2O5/c1-13(2,3)21-12(19)15-4-9(18)16-5-7(14)11-10(16)8(17)6-20-11/h7-8,10-11,17H,4-6H2,1-3H3,(H,15,19)/t7-,8+,10-,11-/m1/s1
InChIKeyOAEOPBUTBDORHN-JZSSXWJLSA-N
XLogP-0.18
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate (CID 70333270) is tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate is CC(C)(C)OC(=O)NCC(=O)N1C[C@@H](F)[C@H]2OC[C@H](O)[C@H]21.
What is the InChIKey of tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate?
The InChIKey is OAEOPBUTBDORHN-JZSSXWJLSA-N. The full InChI is InChI=1S/C13H21FN2O5/c1-13(2,3)21-12(19)15-4-9(18)16-5-7(14)11-10(16)8(17)6-20-11/h7-8,10-11,17H,4-6H2,1-3H3,(H,15,19)/t7-,8+,10-,11-/m1/s1.
What are the key properties of tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate?
tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate has a molecular weight of 304.32 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[(3R,3aR,6R,6aS)-6-fluoro-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]pyrrol-4-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 70333270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).