2-(cyclopropanecarboximidoyl)butanoic acid

C8H13NO2 — CID 57096039

IUPAC2-(cyclopropanecarboximidoyl)butanoic acid
SMILES[H]/N=C(\C1CC1)C(CC)C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-6(8(10)11)7(9)5-3-4-5/h5-6,9H,2-4H2,1H3,(H,10,11)/b9-7+
InChIKeyHKJZEXLFUXBHGS-VQHVLOKHSA-N
MW155.20 g/mol
LogP1.53
Rot. Bonds4

About 2-(cyclopropanecarboximidoyl)butanoic acid

2-(cyclopropanecarboximidoyl)butanoic acid (PubChem CID 57096039) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-(cyclopropanecarboximidoyl)butanoic acid.

Molecular Properties

Compound Name2-(cyclopropanecarboximidoyl)butanoic acid
PubChem CID57096039
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name2-(cyclopropanecarboximidoyl)butanoic acid
SMILES[H]/N=C(\C1CC1)C(CC)C(=O)O
InChIInChI=1S/C8H13NO2/c1-2-6(8(10)11)7(9)5-3-4-5/h5-6,9H,2-4H2,1H3,(H,10,11)/b9-7+
InChIKeyHKJZEXLFUXBHGS-VQHVLOKHSA-N
XLogP1.53
TPSA61.15 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
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-(cyclopropanecarboximidoyl)butanoic acid?
The IUPAC name of 2-(cyclopropanecarboximidoyl)butanoic acid (CID 57096039) is 2-(cyclopropanecarboximidoyl)butanoic acid.
What is the SMILES notation for 2-(cyclopropanecarboximidoyl)butanoic acid?
The canonical SMILES for 2-(cyclopropanecarboximidoyl)butanoic acid is [H]/N=C(\C1CC1)C(CC)C(=O)O.
What is the InChIKey of 2-(cyclopropanecarboximidoyl)butanoic acid?
The InChIKey is HKJZEXLFUXBHGS-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-6(8(10)11)7(9)5-3-4-5/h5-6,9H,2-4H2,1H3,(H,10,11)/b9-7+.
What are the key properties of 2-(cyclopropanecarboximidoyl)butanoic acid?
2-(cyclopropanecarboximidoyl)butanoic acid has a molecular weight of 155.20 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarboximidoyl)butanoic acid is sourced from PubChem (CID 57096039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).