N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide

C13H21N3O3 — CID 66211149

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESNC1C2CCCOC2C1NC(=O)CN1CCCC1=O
InChIInChI=1S/C13H21N3O3/c14-11-8-3-2-6-19-13(8)12(11)15-9(17)7-16-5-1-4-10(16)18/h8,11-13H,1-7,14H2,(H,15,17)
InChIKeyOKNZMSUVAZCNBF-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.77
Rot. Bonds3

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 66211149) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
PubChem CID66211149
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide
SMILESNC1C2CCCOC2C1NC(=O)CN1CCCC1=O
InChIInChI=1S/C13H21N3O3/c14-11-8-3-2-6-19-13(8)12(11)15-9(17)7-16-5-1-4-10(16)18/h8,11-13H,1-7,14H2,(H,15,17)
InChIKeyOKNZMSUVAZCNBF-UHFFFAOYSA-N
XLogP-0.77
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide (CID 66211149) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide is NC1C2CCCOC2C1NC(=O)CN1CCCC1=O.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide?
The InChIKey is OKNZMSUVAZCNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c14-11-8-3-2-6-19-13(8)12(11)15-9(17)7-16-5-1-4-10(16)18/h8,11-13H,1-7,14H2,(H,15,17).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 267.33 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 66211149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).