2-azidopent-4-enoic acid

C5H7N3O2 — CID 77132005

IUPAC2-azidopent-4-enoic acid
SMILESC=CCC(N=[N+]=[N-])C(=O)O
InChIInChI=1S/C5H7N3O2/c1-2-3-4(5(9)10)7-8-6/h2,4H,1,3H2,(H,9,10)
InChIKeyFARJWHSXYVLVNK-UHFFFAOYSA-N
MW141.13 g/mol
LogP1.33
Rot. Bonds4

About 2-azidopent-4-enoic acid

2-azidopent-4-enoic acid (PubChem CID 77132005) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is 2-azidopent-4-enoic acid.

Molecular Properties

Compound Name2-azidopent-4-enoic acid
PubChem CID77132005
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC Name2-azidopent-4-enoic acid
SMILESC=CCC(N=[N+]=[N-])C(=O)O
InChIInChI=1S/C5H7N3O2/c1-2-3-4(5(9)10)7-8-6/h2,4H,1,3H2,(H,9,10)
InChIKeyFARJWHSXYVLVNK-UHFFFAOYSA-N
XLogP1.33
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azidopent-4-enoic acid?
The IUPAC name of 2-azidopent-4-enoic acid (CID 77132005) is 2-azidopent-4-enoic acid.
What is the SMILES notation for 2-azidopent-4-enoic acid?
The canonical SMILES for 2-azidopent-4-enoic acid is C=CCC(N=[N+]=[N-])C(=O)O.
What is the InChIKey of 2-azidopent-4-enoic acid?
The InChIKey is FARJWHSXYVLVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-2-3-4(5(9)10)7-8-6/h2,4H,1,3H2,(H,9,10).
What are the key properties of 2-azidopent-4-enoic acid?
2-azidopent-4-enoic acid has a molecular weight of 141.13 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azidopent-4-enoic acid is sourced from PubChem (CID 77132005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).