5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid

C10H10INO2 — CID 130744353

IUPAC5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid
SMILESO=C(O)c1cc([C@@H]2CCN2)ccc1I
InChIInChI=1S/C10H10INO2/c11-8-2-1-6(9-3-4-12-9)5-7(8)10(13)14/h1-2,5,9,12H,3-4H2,(H,13,14)/t9-/m0/s1
InChIKeyKRDSTWSQWZZTQP-VIFPVBQESA-N
MW303.10 g/mol
LogP2.02
Rot. Bonds2

About 5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid

5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid (PubChem CID 130744353) has the molecular formula C10H10INO2 and a molecular weight of 303.10 g/mol. Its IUPAC name is 5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid.

Molecular Properties

Compound Name5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid
PubChem CID130744353
Molecular FormulaC10H10INO2
Molecular Weight303.10 g/mol
Exact Mass302.98
IUPAC Name5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid
SMILESO=C(O)c1cc([C@@H]2CCN2)ccc1I
InChIInChI=1S/C10H10INO2/c11-8-2-1-6(9-3-4-12-9)5-7(8)10(13)14/h1-2,5,9,12H,3-4H2,(H,13,14)/t9-/m0/s1
InChIKeyKRDSTWSQWZZTQP-VIFPVBQESA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.10
LogP ≤ 52.02
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 5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid?
The IUPAC name of 5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid (CID 130744353) is 5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid.
What is the SMILES notation for 5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid?
The canonical SMILES for 5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid is O=C(O)c1cc([C@@H]2CCN2)ccc1I.
What is the InChIKey of 5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid?
The InChIKey is KRDSTWSQWZZTQP-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10INO2/c11-8-2-1-6(9-3-4-12-9)5-7(8)10(13)14/h1-2,5,9,12H,3-4H2,(H,13,14)/t9-/m0/s1.
What are the key properties of 5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid?
5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid has a molecular weight of 303.10 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-azetidin-2-yl]-2-iodobenzoic acid is sourced from PubChem (CID 130744353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).