tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate

C17H25NO5 — CID 102275467

IUPACtert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate
SMILESCC(C)[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC(=O)O[C@H]1c1ccco1
InChIInChI=1S/C17H25NO5/c1-10(2)14-11(18-16(20)23-17(3,4)5)9-13(19)22-15(14)12-7-6-8-21-12/h6-8,10-11,14-15H,9H2,1-5H3,(H,18,20)/t11-,14-,15+/m1/s1
InChIKeyLIUXONFYVBQZOW-DFBGVHRSSA-N
MW323.39 g/mol
LogP3.43
Rot. Bonds3

About tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate

tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate (PubChem CID 102275467) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate
PubChem CID102275467
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Nametert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate
SMILESCC(C)[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC(=O)O[C@H]1c1ccco1
InChIInChI=1S/C17H25NO5/c1-10(2)14-11(18-16(20)23-17(3,4)5)9-13(19)22-15(14)12-7-6-8-21-12/h6-8,10-11,14-15H,9H2,1-5H3,(H,18,20)/t11-,14-,15+/m1/s1
InChIKeyLIUXONFYVBQZOW-DFBGVHRSSA-N
XLogP3.43
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate (CID 102275467) is tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate is CC(C)[C@@H]1[C@H](NC(=O)OC(C)(C)C)CC(=O)O[C@H]1c1ccco1.
What is the InChIKey of tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate?
The InChIKey is LIUXONFYVBQZOW-DFBGVHRSSA-N. The full InChI is InChI=1S/C17H25NO5/c1-10(2)14-11(18-16(20)23-17(3,4)5)9-13(19)22-15(14)12-7-6-8-21-12/h6-8,10-11,14-15H,9H2,1-5H3,(H,18,20)/t11-,14-,15+/m1/s1.
What are the key properties of tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate?
tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate has a molecular weight of 323.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2R,3R,4R)-2-(furan-2-yl)-6-oxo-3-propan-2-yloxan-4-yl]carbamate is sourced from PubChem (CID 102275467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).