2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid

C16H20N4O6 — CID 173307084

IUPAC2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid
SMILESNN=Cc1ccc(C(CC(=O)O)C(N)(C(=O)O)C(=O)C(N)CC=O)cc1
InChIInChI=1S/C16H20N4O6/c17-12(5-6-21)14(24)16(18,15(25)26)11(7-13(22)23)10-3-1-9(2-4-10)8-20-19/h1-4,6,8,11-12H,5,7,17-19H2,(H,22,23)(H,25,26)
InChIKeyAIOIMEUKQSPQOJ-UHFFFAOYSA-N
MW364.36 g/mol
LogP-1.20
Rot. Bonds10

About 2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid

2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid (PubChem CID 173307084) has the molecular formula C16H20N4O6 and a molecular weight of 364.36 g/mol. Its IUPAC name is 2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid.

Molecular Properties

Compound Name2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid
PubChem CID173307084
Molecular FormulaC16H20N4O6
Molecular Weight364.36 g/mol
Exact Mass364.14
IUPAC Name2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid
SMILESNN=Cc1ccc(C(CC(=O)O)C(N)(C(=O)O)C(=O)C(N)CC=O)cc1
InChIInChI=1S/C16H20N4O6/c17-12(5-6-21)14(24)16(18,15(25)26)11(7-13(22)23)10-3-1-9(2-4-10)8-20-19/h1-4,6,8,11-12H,5,7,17-19H2,(H,22,23)(H,25,26)
InChIKeyAIOIMEUKQSPQOJ-UHFFFAOYSA-N
XLogP-1.20
TPSA199.16 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 5-1.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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'}

Analyze 2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid?
The IUPAC name of 2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid (CID 173307084) is 2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid.
What is the SMILES notation for 2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid?
The canonical SMILES for 2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid is NN=Cc1ccc(C(CC(=O)O)C(N)(C(=O)O)C(=O)C(N)CC=O)cc1.
What is the InChIKey of 2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid?
The InChIKey is AIOIMEUKQSPQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O6/c17-12(5-6-21)14(24)16(18,15(25)26)11(7-13(22)23)10-3-1-9(2-4-10)8-20-19/h1-4,6,8,11-12H,5,7,17-19H2,(H,22,23)(H,25,26).
What are the key properties of 2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid?
2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid has a molecular weight of 364.36 g/mol, XLogP of -1.20, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(2-amino-4-oxobutanoyl)-3-(4-methanehydrazonoylphenyl)pentanedioic acid is sourced from PubChem (CID 173307084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).