2-ethyl-5-iminopentanoic acid

C7H13NO2 — CID 57071082

IUPAC2-ethyl-5-iminopentanoic acid
SMILES[H]/N=C/CCC(CC)C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-6(7(9)10)4-3-5-8/h5-6,8H,2-4H2,1H3,(H,9,10)/b8-5+
InChIKeyDRHJARJNNXHKOG-VMPITWQZSA-N
MW143.19 g/mol
LogP1.53
Rot. Bonds5

About 2-ethyl-5-iminopentanoic acid

2-ethyl-5-iminopentanoic acid (PubChem CID 57071082) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-ethyl-5-iminopentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-iminopentanoic acid
PubChem CID57071082
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-ethyl-5-iminopentanoic acid
SMILES[H]/N=C/CCC(CC)C(=O)O
InChIInChI=1S/C7H13NO2/c1-2-6(7(9)10)4-3-5-8/h5-6,8H,2-4H2,1H3,(H,9,10)/b8-5+
InChIKeyDRHJARJNNXHKOG-VMPITWQZSA-N
XLogP1.53
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-ethyl-5-iminopentanoic acid?
The IUPAC name of 2-ethyl-5-iminopentanoic acid (CID 57071082) is 2-ethyl-5-iminopentanoic acid.
What is the SMILES notation for 2-ethyl-5-iminopentanoic acid?
The canonical SMILES for 2-ethyl-5-iminopentanoic acid is [H]/N=C/CCC(CC)C(=O)O.
What is the InChIKey of 2-ethyl-5-iminopentanoic acid?
The InChIKey is DRHJARJNNXHKOG-VMPITWQZSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-6(7(9)10)4-3-5-8/h5-6,8H,2-4H2,1H3,(H,9,10)/b8-5+.
What are the key properties of 2-ethyl-5-iminopentanoic acid?
2-ethyl-5-iminopentanoic acid has a molecular weight of 143.19 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-iminopentanoic acid is sourced from PubChem (CID 57071082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).