4-ethyliminopentanoic acid

C7H13NO2 — CID 20666902

IUPAC4-ethyliminopentanoic acid
SMILESCC/N=C(\C)CCC(=O)O
InChIInChI=1S/C7H13NO2/c1-3-8-6(2)4-5-7(9)10/h3-5H2,1-2H3,(H,9,10)/b8-6+
InChIKeyMIIRLJXZJKTTIX-SOFGYWHQSA-N
MW143.19 g/mol
LogP1.33
Rot. Bonds4

About 4-ethyliminopentanoic acid

4-ethyliminopentanoic acid (PubChem CID 20666902) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 4-ethyliminopentanoic acid.

Molecular Properties

Compound Name4-ethyliminopentanoic acid
PubChem CID20666902
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name4-ethyliminopentanoic acid
SMILESCC/N=C(\C)CCC(=O)O
InChIInChI=1S/C7H13NO2/c1-3-8-6(2)4-5-7(9)10/h3-5H2,1-2H3,(H,9,10)/b8-6+
InChIKeyMIIRLJXZJKTTIX-SOFGYWHQSA-N
XLogP1.33
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(Hydroxyimino)pentanoic acid
CID 81373
(4Z)-4-hydroxyiminopentanoic acid
CID 5483495
4-(Hydroxyimino)valeric acid
CID 5354662
2-(2-Fluoroethylimino)butanoic acid
CID 170117788
3-(Carboxymethylimino)butanoic acid
CID 90890790
4-Iminopentanoic acid
CID 19957986
3-Pentyliminobutanoic acid
CID 23175555
3-Butyliminobutanoic acid
CID 23175603
3-(2-Carboxyethylimino)butanoic acid
CID 53916593
3-Methyliminohexanoic acid
CID 53964197
3-Methyliminobutanoic acid
CID 53995813
2-Methyliminobutanoic acid
CID 54107212

Frequently Asked Questions

What is the IUPAC name of 4-ethyliminopentanoic acid?
The IUPAC name of 4-ethyliminopentanoic acid (CID 20666902) is 4-ethyliminopentanoic acid.
What is the SMILES notation for 4-ethyliminopentanoic acid?
The canonical SMILES for 4-ethyliminopentanoic acid is CC/N=C(\C)CCC(=O)O.
What is the InChIKey of 4-ethyliminopentanoic acid?
The InChIKey is MIIRLJXZJKTTIX-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO2/c1-3-8-6(2)4-5-7(9)10/h3-5H2,1-2H3,(H,9,10)/b8-6+.
What are the key properties of 4-ethyliminopentanoic acid?
4-ethyliminopentanoic acid has a molecular weight of 143.19 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyliminopentanoic acid is sourced from PubChem (CID 20666902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).