N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide

C12H20N2O3 — CID 66212695

IUPACN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide
SMILESNC1C2CCCOC2C1NC(=O)C1CCCO1
InChIInChI=1S/C12H20N2O3/c13-9-7-3-1-6-17-11(7)10(9)14-12(15)8-4-2-5-16-8/h7-11H,1-6,13H2,(H,14,15)
InChIKeyZSRYCUWDNUTJRE-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.21
Rot. Bonds2

About N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide (PubChem CID 66212695) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide
PubChem CID66212695
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC NameN-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide
SMILESNC1C2CCCOC2C1NC(=O)C1CCCO1
InChIInChI=1S/C12H20N2O3/c13-9-7-3-1-6-17-11(7)10(9)14-12(15)8-4-2-5-16-8/h7-11H,1-6,13H2,(H,14,15)
InChIKeyZSRYCUWDNUTJRE-UHFFFAOYSA-N
XLogP-0.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-1,1-dioxothiolane-3-carboxamide
CID 66213275
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclopentanecarboxamide
CID 66197662
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-oxo-1,3-thiazolidine-4-carboxamide
CID 66210767
N-(6-amino-2-oxabicyclo[3.2.0]heptan-7-yl)cyclooctanecarboxamide
CID 66195942
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclobutylacetamide
CID 103165028
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-cyclopentylacetamide
CID 66211728
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-3-cyclopentylpropanamide
CID 66213463
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-4-fluorobenzamide
CID 66211147
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-propylpentanamide
CID 82987244
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylsulfonylpropanamide
CID 113422273
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)-2-methylpentanamide
CID 66211720
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533

Frequently Asked Questions

What is the IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide?
The IUPAC name of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide (CID 66212695) is N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide.
What is the SMILES notation for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide?
The canonical SMILES for N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide is NC1C2CCCOC2C1NC(=O)C1CCCO1.
What is the InChIKey of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide?
The InChIKey is ZSRYCUWDNUTJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-9-7-3-1-6-17-11(7)10(9)14-12(15)8-4-2-5-16-8/h7-11H,1-6,13H2,(H,14,15).
What are the key properties of N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide?
N-(7-amino-2-oxabicyclo[4.2.0]octan-8-yl)oxolane-2-carboxamide has a molecular weight of 240.30 g/mol, XLogP of -0.21, 2 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)oxolane-2-carboxamide is sourced from PubChem (CID 66212695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).