(1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide

C16H20N2O5 — CID 46229320

IUPAC(1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
SMILESC[C@@H](CO)NC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2
InChIInChI=1S/C16H20N2O5/c1-10(9-19)17-15(20)13-14-16(21)18(8-12(22-13)23-14)7-11-5-3-2-4-6-11/h2-6,10,12-14,19H,7-9H2,1H3,(H,17,20)/t10-,12+,13+,14+/m0/s1
InChIKeyFNJDYKVKCOWDKN-IGHBBLSQSA-N
MW320.34 g/mol
LogP-0.36
Rot. Bonds5

About (1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide

(1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide (PubChem CID 46229320) has the molecular formula C16H20N2O5 and a molecular weight of 320.34 g/mol. Its IUPAC name is (1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide.

Molecular Properties

Compound Name(1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
PubChem CID46229320
Molecular FormulaC16H20N2O5
Molecular Weight320.34 g/mol
Exact Mass320.14
IUPAC Name(1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide
SMILESC[C@@H](CO)NC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2
InChIInChI=1S/C16H20N2O5/c1-10(9-19)17-15(20)13-14-16(21)18(8-12(22-13)23-14)7-11-5-3-2-4-6-11/h2-6,10,12-14,19H,7-9H2,1H3,(H,17,20)/t10-,12+,13+,14+/m0/s1
InChIKeyFNJDYKVKCOWDKN-IGHBBLSQSA-N
XLogP-0.36
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The IUPAC name of (1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide (CID 46229320) is (1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide.
What is the SMILES notation for (1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The canonical SMILES for (1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide is C[C@@H](CO)NC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C(=O)[C@@H]1O2.
What is the InChIKey of (1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
The InChIKey is FNJDYKVKCOWDKN-IGHBBLSQSA-N. The full InChI is InChI=1S/C16H20N2O5/c1-10(9-19)17-15(20)13-14-16(21)18(8-12(22-13)23-14)7-11-5-3-2-4-6-11/h2-6,10,12-14,19H,7-9H2,1H3,(H,17,20)/t10-,12+,13+,14+/m0/s1.
What are the key properties of (1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide?
(1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide has a molecular weight of 320.34 g/mol, XLogP of -0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R,7R)-3-benzyl-N-[(2S)-1-hydroxypropan-2-yl]-2-oxo-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide is sourced from PubChem (CID 46229320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).