3-(2-azidoethylamino)oxolane-3-carboxamide

C7H13N5O2 — CID 66190838

IUPAC3-(2-azidoethylamino)oxolane-3-carboxamide
SMILES[N-]=[N+]=NCCNC1(C(N)=O)CCOC1
InChIInChI=1S/C7H13N5O2/c8-6(13)7(1-4-14-5-7)10-2-3-11-12-9/h10H,1-5H2,(H2,8,13)
InChIKeyRKYRJKIGSAEWHT-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.47
Rot. Bonds5

About 3-(2-azidoethylamino)oxolane-3-carboxamide

3-(2-azidoethylamino)oxolane-3-carboxamide (PubChem CID 66190838) has the molecular formula C7H13N5O2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(2-azidoethylamino)oxolane-3-carboxamide.

Molecular Properties

Compound Name3-(2-azidoethylamino)oxolane-3-carboxamide
PubChem CID66190838
Molecular FormulaC7H13N5O2
Molecular Weight199.21 g/mol
Exact Mass199.11
IUPAC Name3-(2-azidoethylamino)oxolane-3-carboxamide
SMILES[N-]=[N+]=NCCNC1(C(N)=O)CCOC1
InChIInChI=1S/C7H13N5O2/c8-6(13)7(1-4-14-5-7)10-2-3-11-12-9/h10H,1-5H2,(H2,8,13)
InChIKeyRKYRJKIGSAEWHT-UHFFFAOYSA-N
XLogP-0.47
TPSA113.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.47
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 3-(2-azidoethylamino)oxolane-3-carboxamide?
The IUPAC name of 3-(2-azidoethylamino)oxolane-3-carboxamide (CID 66190838) is 3-(2-azidoethylamino)oxolane-3-carboxamide.
What is the SMILES notation for 3-(2-azidoethylamino)oxolane-3-carboxamide?
The canonical SMILES for 3-(2-azidoethylamino)oxolane-3-carboxamide is [N-]=[N+]=NCCNC1(C(N)=O)CCOC1.
What is the InChIKey of 3-(2-azidoethylamino)oxolane-3-carboxamide?
The InChIKey is RKYRJKIGSAEWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N5O2/c8-6(13)7(1-4-14-5-7)10-2-3-11-12-9/h10H,1-5H2,(H2,8,13).
What are the key properties of 3-(2-azidoethylamino)oxolane-3-carboxamide?
3-(2-azidoethylamino)oxolane-3-carboxamide has a molecular weight of 199.21 g/mol, XLogP of -0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-azidoethylamino)oxolane-3-carboxamide is sourced from PubChem (CID 66190838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).