2-cyclopropyl-2-(3-iodoanilino)acetic acid

C11H12INO2 — CID 103236721

IUPAC2-cyclopropyl-2-(3-iodoanilino)acetic acid
SMILESO=C(O)C(Nc1cccc(I)c1)C1CC1
InChIInChI=1S/C11H12INO2/c12-8-2-1-3-9(6-8)13-10(11(14)15)7-4-5-7/h1-3,6-7,10,13H,4-5H2,(H,14,15)
InChIKeyNGWKJPJCKMWOOG-UHFFFAOYSA-N
MW317.13 g/mol
LogP2.57
Rot. Bonds4

About 2-cyclopropyl-2-(3-iodoanilino)acetic acid

2-cyclopropyl-2-(3-iodoanilino)acetic acid (PubChem CID 103236721) has the molecular formula C11H12INO2 and a molecular weight of 317.13 g/mol. Its IUPAC name is 2-cyclopropyl-2-(3-iodoanilino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(3-iodoanilino)acetic acid
PubChem CID103236721
Molecular FormulaC11H12INO2
Molecular Weight317.13 g/mol
Exact Mass316.99
IUPAC Name2-cyclopropyl-2-(3-iodoanilino)acetic acid
SMILESO=C(O)C(Nc1cccc(I)c1)C1CC1
InChIInChI=1S/C11H12INO2/c12-8-2-1-3-9(6-8)13-10(11(14)15)7-4-5-7/h1-3,6-7,10,13H,4-5H2,(H,14,15)
InChIKeyNGWKJPJCKMWOOG-UHFFFAOYSA-N
XLogP2.57
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.13
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(3-iodoanilino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(3-iodoanilino)acetic acid (CID 103236721) is 2-cyclopropyl-2-(3-iodoanilino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(3-iodoanilino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(3-iodoanilino)acetic acid is O=C(O)C(Nc1cccc(I)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(3-iodoanilino)acetic acid?
The InChIKey is NGWKJPJCKMWOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12INO2/c12-8-2-1-3-9(6-8)13-10(11(14)15)7-4-5-7/h1-3,6-7,10,13H,4-5H2,(H,14,15).
What are the key properties of 2-cyclopropyl-2-(3-iodoanilino)acetic acid?
2-cyclopropyl-2-(3-iodoanilino)acetic acid has a molecular weight of 317.13 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(3-iodoanilino)acetic acid is sourced from PubChem (CID 103236721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).