4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide

C12H20N2O3 — CID 113280887

IUPAC4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide
SMILESNC1(C(=O)NC2CC3CCC2O3)CCOCC1
InChIInChI=1S/C12H20N2O3/c13-12(3-5-16-6-4-12)11(15)14-9-7-8-1-2-10(9)17-8/h8-10H,1-7,13H2,(H,14,15)
InChIKeyDHVFTUGEWWQGRD-UHFFFAOYSA-N
MW240.30 g/mol
LogP-0.07
Rot. Bonds2

About 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide

4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide (PubChem CID 113280887) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide
PubChem CID113280887
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide
SMILESNC1(C(=O)NC2CC3CCC2O3)CCOCC1
InChIInChI=1S/C12H20N2O3/c13-12(3-5-16-6-4-12)11(15)14-9-7-8-1-2-10(9)17-8/h8-10H,1-7,13H2,(H,14,15)
InChIKeyDHVFTUGEWWQGRD-UHFFFAOYSA-N
XLogP-0.07
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 ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(2-cyclopropyloxolan-3-yl)oxane-4-carboxamide
CID 103951092
4-amino-3-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxolane-3-carboxamide
CID 80719997
N-[(1R,4S)-7-oxabicyclo[2.2.1]heptan-2-yl]acetamide
CID 91023793
1-(N'-hydroxycarbamimidoyl)-N-(7-oxabicyclo[2.2.1]heptan-2-yl)cycloheptane-1-carboxamide
CID 80715583
1-(7-oxabicyclo[2.2.1]heptan-2-ylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 80720753
4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide
CID 113280766
4-amino-N-(2,2,3,3-tetramethylcyclopropyl)oxane-4-carboxamide
CID 113280863
(2R)-2-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)propanamide
CID 80721261
2-methyl-N-[(2S)-7-oxabicyclo[2.2.1]heptan-2-yl]propanamide
CID 131020268
N-(7-oxabicyclo[2.2.1]heptan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 80731930
tert-butyl N-[(1S,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]carbamate
CID 97052837
4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide
CID 115295068

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide (CID 113280887) is 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide is NC1(C(=O)NC2CC3CCC2O3)CCOCC1.
What is the InChIKey of 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide?
The InChIKey is DHVFTUGEWWQGRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c13-12(3-5-16-6-4-12)11(15)14-9-7-8-1-2-10(9)17-8/h8-10H,1-7,13H2,(H,14,15).
What are the key properties of 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide?
4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide has a molecular weight of 240.30 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide is sourced from PubChem (CID 113280887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).