4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid

C8H13N3O4 — CID 175361096

IUPAC4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid
SMILESC=CC(=O)NNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C8H13N3O4/c1-2-6(12)10-11-8(15)5(9)3-4-7(13)14/h2,5H,1,3-4,9H2,(H,10,12)(H,11,15)(H,13,14)
InChIKeyUDZQTZDUHLLDOU-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.49
Rot. Bonds5

About 4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid

4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid (PubChem CID 175361096) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid.

Molecular Properties

Compound Name4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid
PubChem CID175361096
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid
SMILESC=CC(=O)NNC(=O)C(N)CCC(=O)O
InChIInChI=1S/C8H13N3O4/c1-2-6(12)10-11-8(15)5(9)3-4-7(13)14/h2,5H,1,3-4,9H2,(H,10,12)(H,11,15)(H,13,14)
InChIKeyUDZQTZDUHLLDOU-UHFFFAOYSA-N
XLogP-1.49
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid?
The IUPAC name of 4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid (CID 175361096) is 4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid.
What is the SMILES notation for 4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid?
The canonical SMILES for 4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid is C=CC(=O)NNC(=O)C(N)CCC(=O)O.
What is the InChIKey of 4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid?
The InChIKey is UDZQTZDUHLLDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c1-2-6(12)10-11-8(15)5(9)3-4-7(13)14/h2,5H,1,3-4,9H2,(H,10,12)(H,11,15)(H,13,14).
What are the key properties of 4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid?
4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid has a molecular weight of 215.21 g/mol, XLogP of -1.49, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-oxo-5-(2-prop-2-enoylhydrazinyl)pentanoic acid is sourced from PubChem (CID 175361096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).