4-(2-azidoethylamino)oxane-4-carboxamide

C8H15N5O2 — CID 66190843

IUPAC4-(2-azidoethylamino)oxane-4-carboxamide
SMILES[N-]=[N+]=NCCNC1(C(N)=O)CCOCC1
InChIInChI=1S/C8H15N5O2/c9-7(14)8(1-5-15-6-2-8)11-3-4-12-13-10/h11H,1-6H2,(H2,9,14)
InChIKeyZZSFYZSGGGWRFI-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.08
Rot. Bonds5

About 4-(2-azidoethylamino)oxane-4-carboxamide

4-(2-azidoethylamino)oxane-4-carboxamide (PubChem CID 66190843) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(2-azidoethylamino)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(2-azidoethylamino)oxane-4-carboxamide
PubChem CID66190843
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name4-(2-azidoethylamino)oxane-4-carboxamide
SMILES[N-]=[N+]=NCCNC1(C(N)=O)CCOCC1
InChIInChI=1S/C8H15N5O2/c9-7(14)8(1-5-15-6-2-8)11-3-4-12-13-10/h11H,1-6H2,(H2,9,14)
InChIKeyZZSFYZSGGGWRFI-UHFFFAOYSA-N
XLogP-0.08
TPSA113.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-azidoethylamino)oxane-4-carboxamide?
The IUPAC name of 4-(2-azidoethylamino)oxane-4-carboxamide (CID 66190843) is 4-(2-azidoethylamino)oxane-4-carboxamide.
What is the SMILES notation for 4-(2-azidoethylamino)oxane-4-carboxamide?
The canonical SMILES for 4-(2-azidoethylamino)oxane-4-carboxamide is [N-]=[N+]=NCCNC1(C(N)=O)CCOCC1.
What is the InChIKey of 4-(2-azidoethylamino)oxane-4-carboxamide?
The InChIKey is ZZSFYZSGGGWRFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c9-7(14)8(1-5-15-6-2-8)11-3-4-12-13-10/h11H,1-6H2,(H2,9,14).
What are the key properties of 4-(2-azidoethylamino)oxane-4-carboxamide?
4-(2-azidoethylamino)oxane-4-carboxamide has a molecular weight of 213.24 g/mol, XLogP of -0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-azidoethylamino)oxane-4-carboxamide is sourced from PubChem (CID 66190843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).