5-amino-6-hydroxy-4-oxohept-2-enoic acid

C7H11NO4 — CID 173433315

IUPAC5-amino-6-hydroxy-4-oxohept-2-enoic acid
SMILESCC(O)C(N)C(=O)C=CC(=O)O
InChIInChI=1S/C7H11NO4/c1-4(9)7(8)5(10)2-3-6(11)12/h2-4,7,9H,8H2,1H3,(H,11,12)
InChIKeyQARHJOMAAHZSEA-UHFFFAOYSA-N
MW173.17 g/mol
LogP-1.10
Rot. Bonds4

About 5-amino-6-hydroxy-4-oxohept-2-enoic acid

5-amino-6-hydroxy-4-oxohept-2-enoic acid (PubChem CID 173433315) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 5-amino-6-hydroxy-4-oxohept-2-enoic acid.

Molecular Properties

Compound Name5-amino-6-hydroxy-4-oxohept-2-enoic acid
PubChem CID173433315
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name5-amino-6-hydroxy-4-oxohept-2-enoic acid
SMILESCC(O)C(N)C(=O)C=CC(=O)O
InChIInChI=1S/C7H11NO4/c1-4(9)7(8)5(10)2-3-6(11)12/h2-4,7,9H,8H2,1H3,(H,11,12)
InChIKeyQARHJOMAAHZSEA-UHFFFAOYSA-N
XLogP-1.10
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-6-hydroxy-4-oxohept-2-enoic 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 5-amino-6-hydroxy-4-oxohept-2-enoic acid?
The IUPAC name of 5-amino-6-hydroxy-4-oxohept-2-enoic acid (CID 173433315) is 5-amino-6-hydroxy-4-oxohept-2-enoic acid.
What is the SMILES notation for 5-amino-6-hydroxy-4-oxohept-2-enoic acid?
The canonical SMILES for 5-amino-6-hydroxy-4-oxohept-2-enoic acid is CC(O)C(N)C(=O)C=CC(=O)O.
What is the InChIKey of 5-amino-6-hydroxy-4-oxohept-2-enoic acid?
The InChIKey is QARHJOMAAHZSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4(9)7(8)5(10)2-3-6(11)12/h2-4,7,9H,8H2,1H3,(H,11,12).
What are the key properties of 5-amino-6-hydroxy-4-oxohept-2-enoic acid?
5-amino-6-hydroxy-4-oxohept-2-enoic acid has a molecular weight of 173.17 g/mol, XLogP of -1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-hydroxy-4-oxohept-2-enoic acid is sourced from PubChem (CID 173433315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).