2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid

C14H20N4O3 — CID 67663855

IUPAC2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid
SMILESNCCC(=O)C(N)(CCc1ccc(C=NN)cc1)C(=O)O
InChIInChI=1S/C14H20N4O3/c15-8-6-12(19)14(16,13(20)21)7-5-10-1-3-11(4-2-10)9-18-17/h1-4,9H,5-8,15-17H2,(H,20,21)
InChIKeyVVOXKPVDLYOWCL-UHFFFAOYSA-N
MW292.34 g/mol
LogP-0.39
Rot. Bonds8

About 2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid

2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid (PubChem CID 67663855) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid.

Molecular Properties

Compound Name2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid
PubChem CID67663855
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid
SMILESNCCC(=O)C(N)(CCc1ccc(C=NN)cc1)C(=O)O
InChIInChI=1S/C14H20N4O3/c15-8-6-12(19)14(16,13(20)21)7-5-10-1-3-11(4-2-10)9-18-17/h1-4,9H,5-8,15-17H2,(H,20,21)
InChIKeyVVOXKPVDLYOWCL-UHFFFAOYSA-N
XLogP-0.39
TPSA144.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-0.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_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 2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid?
The IUPAC name of 2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid (CID 67663855) is 2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid.
What is the SMILES notation for 2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid?
The canonical SMILES for 2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid is NCCC(=O)C(N)(CCc1ccc(C=NN)cc1)C(=O)O.
What is the InChIKey of 2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid?
The InChIKey is VVOXKPVDLYOWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c15-8-6-12(19)14(16,13(20)21)7-5-10-1-3-11(4-2-10)9-18-17/h1-4,9H,5-8,15-17H2,(H,20,21).
What are the key properties of 2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid?
2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid has a molecular weight of 292.34 g/mol, XLogP of -0.39, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-2-[2-(4-methanehydrazonoylphenyl)ethyl]-3-oxopentanoic acid is sourced from PubChem (CID 67663855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).