2-(acetyliminomethyl)pentanedioic acid

C8H11NO5 — CID 138702660

IUPAC2-(acetyliminomethyl)pentanedioic acid
SMILESCC(=O)/N=C/C(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H11NO5/c1-5(10)9-4-6(8(13)14)2-3-7(11)12/h4,6H,2-3H2,1H3,(H,11,12)(H,13,14)/b9-4+
InChIKeyUGRPROQVWPFKOY-RUDMXATFSA-N
MW201.18 g/mol
LogP0.17
Rot. Bonds5

About 2-(acetyliminomethyl)pentanedioic acid

2-(acetyliminomethyl)pentanedioic acid (PubChem CID 138702660) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-(acetyliminomethyl)pentanedioic acid.

Molecular Properties

Compound Name2-(acetyliminomethyl)pentanedioic acid
PubChem CID138702660
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name2-(acetyliminomethyl)pentanedioic acid
SMILESCC(=O)/N=C/C(CCC(=O)O)C(=O)O
InChIInChI=1S/C8H11NO5/c1-5(10)9-4-6(8(13)14)2-3-7(11)12/h4,6H,2-3H2,1H3,(H,11,12)(H,13,14)/b9-4+
InChIKeyUGRPROQVWPFKOY-RUDMXATFSA-N
XLogP0.17
TPSA104.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(acetyliminomethyl)pentanedioic acid?
The IUPAC name of 2-(acetyliminomethyl)pentanedioic acid (CID 138702660) is 2-(acetyliminomethyl)pentanedioic acid.
What is the SMILES notation for 2-(acetyliminomethyl)pentanedioic acid?
The canonical SMILES for 2-(acetyliminomethyl)pentanedioic acid is CC(=O)/N=C/C(CCC(=O)O)C(=O)O.
What is the InChIKey of 2-(acetyliminomethyl)pentanedioic acid?
The InChIKey is UGRPROQVWPFKOY-RUDMXATFSA-N. The full InChI is InChI=1S/C8H11NO5/c1-5(10)9-4-6(8(13)14)2-3-7(11)12/h4,6H,2-3H2,1H3,(H,11,12)(H,13,14)/b9-4+.
What are the key properties of 2-(acetyliminomethyl)pentanedioic acid?
2-(acetyliminomethyl)pentanedioic acid has a molecular weight of 201.18 g/mol, XLogP of 0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(acetyliminomethyl)pentanedioic acid is sourced from PubChem (CID 138702660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).