5-ethoxycarbonyliminoheptanoic acid

C10H17NO4 — CID 173341275

IUPAC5-ethoxycarbonyliminoheptanoic acid
SMILESCCOC(=O)N=C(CC)CCCC(=O)O
InChIInChI=1S/C10H17NO4/c1-3-8(6-5-7-9(12)13)11-10(14)15-4-2/h3-7H2,1-2H3,(H,12,13)
InChIKeyWOSQKUUAOCRCGY-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.25
Rot. Bonds6

About 5-ethoxycarbonyliminoheptanoic acid

5-ethoxycarbonyliminoheptanoic acid (PubChem CID 173341275) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5-ethoxycarbonyliminoheptanoic acid.

Molecular Properties

Compound Name5-ethoxycarbonyliminoheptanoic acid
PubChem CID173341275
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name5-ethoxycarbonyliminoheptanoic acid
SMILESCCOC(=O)N=C(CC)CCCC(=O)O
InChIInChI=1S/C10H17NO4/c1-3-8(6-5-7-9(12)13)11-10(14)15-4-2/h3-7H2,1-2H3,(H,12,13)
InChIKeyWOSQKUUAOCRCGY-UHFFFAOYSA-N
XLogP2.25
TPSA75.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-ethoxycarbonyliminoheptanoic 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-ethoxycarbonyliminoheptanoic acid?
The IUPAC name of 5-ethoxycarbonyliminoheptanoic acid (CID 173341275) is 5-ethoxycarbonyliminoheptanoic acid.
What is the SMILES notation for 5-ethoxycarbonyliminoheptanoic acid?
The canonical SMILES for 5-ethoxycarbonyliminoheptanoic acid is CCOC(=O)N=C(CC)CCCC(=O)O.
What is the InChIKey of 5-ethoxycarbonyliminoheptanoic acid?
The InChIKey is WOSQKUUAOCRCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-3-8(6-5-7-9(12)13)11-10(14)15-4-2/h3-7H2,1-2H3,(H,12,13).
What are the key properties of 5-ethoxycarbonyliminoheptanoic acid?
5-ethoxycarbonyliminoheptanoic acid has a molecular weight of 215.25 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxycarbonyliminoheptanoic acid is sourced from PubChem (CID 173341275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).