4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide

C12H19N3O2 — CID 113280766

IUPAC4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide
SMILESN#CC1CCCC1NC(=O)C1(N)CCOCC1
InChIInChI=1S/C12H19N3O2/c13-8-9-2-1-3-10(9)15-11(16)12(14)4-6-17-7-5-12/h9-10H,1-7,14H2,(H,15,16)
InChIKeyACUCTHXWMSLUDD-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.30
Rot. Bonds2

About 4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide

4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide (PubChem CID 113280766) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide
PubChem CID113280766
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide
SMILESN#CC1CCCC1NC(=O)C1(N)CCOCC1
InChIInChI=1S/C12H19N3O2/c13-8-9-2-1-3-10(9)15-11(16)12(14)4-6-17-7-5-12/h9-10H,1-7,14H2,(H,15,16)
InChIKeyACUCTHXWMSLUDD-UHFFFAOYSA-N
XLogP0.30
TPSA88.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.30
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-N-(2,2,3,3-tetramethylcyclopropyl)oxane-4-carboxamide
CID 113280863
N-[(1S,2S)-2-cyanocyclopentyl]-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 97121023
4-amino-N-(7-oxabicyclo[2.2.1]heptan-2-yl)oxane-4-carboxamide
CID 113280887
[(1R,2R)-2-cyanocyclohexyl]carbamic acid
CID 89240043
1-amino-N-(2-cyanocyclopentyl)-3-ethoxy-2,2-dimethylcyclobutane-1-carboxamide
CID 114829173
N-(2-cyanocyclopentyl)-2-ethylpyrrolidine-2-carboxamide
CID 83071697
N-(2-cyanocyclopentyl)cyclooctanecarboxamide
CID 65018663
1-amino-N-(2-methylcyclopentyl)cyclobutane-1-carboxamide
CID 81169316
3-amino-N-(2-tert-butylcyclohexyl)oxolane-3-carboxamide
CID 64891907
4-amino-N-(thian-3-yl)oxane-4-carboxamide
CID 115763432
4-amino-N-cyclohex-3-en-1-yloxane-4-carboxamide
CID 115295068

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide (CID 113280766) is 4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide is N#CC1CCCC1NC(=O)C1(N)CCOCC1.
What is the InChIKey of 4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide?
The InChIKey is ACUCTHXWMSLUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-8-9-2-1-3-10(9)15-11(16)12(14)4-6-17-7-5-12/h9-10H,1-7,14H2,(H,15,16).
What are the key properties of 4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide?
4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanocyclopentyl)oxane-4-carboxamide is sourced from PubChem (CID 113280766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).