tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate

C17H23NO5 — CID 67820573

IUPACtert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CC[C@@H]2CC(O)C(=O)O2)c1
InChIInChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-12-6-4-5-11(9-12)7-8-13-10-14(19)15(20)22-13/h4-6,9,13-14,19H,7-8,10H2,1-3H3,(H,18,21)/t13-,14?/m1/s1
InChIKeyILRUBUHZNKAHKN-KWCCSABGSA-N
MW321.37 g/mol
LogP2.64
Rot. Bonds4

About tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate

tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate (PubChem CID 67820573) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate
PubChem CID67820573
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Nametert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cccc(CC[C@@H]2CC(O)C(=O)O2)c1
InChIInChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-12-6-4-5-11(9-12)7-8-13-10-14(19)15(20)22-13/h4-6,9,13-14,19H,7-8,10H2,1-3H3,(H,18,21)/t13-,14?/m1/s1
InChIKeyILRUBUHZNKAHKN-KWCCSABGSA-N
XLogP2.64
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate?
The IUPAC name of tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate (CID 67820573) is tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate is CC(C)(C)OC(=O)Nc1cccc(CC[C@@H]2CC(O)C(=O)O2)c1.
What is the InChIKey of tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate?
The InChIKey is ILRUBUHZNKAHKN-KWCCSABGSA-N. The full InChI is InChI=1S/C17H23NO5/c1-17(2,3)23-16(21)18-12-6-4-5-11(9-12)7-8-13-10-14(19)15(20)22-13/h4-6,9,13-14,19H,7-8,10H2,1-3H3,(H,18,21)/t13-,14?/m1/s1.
What are the key properties of tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate?
tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate has a molecular weight of 321.37 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[2-[(2R)-4-hydroxy-5-oxooxolan-2-yl]ethyl]phenyl]carbamate is sourced from PubChem (CID 67820573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).