2-[(2-iodobenzoyl)amino]acetic acid

C9H8INO3 — CID 8614

IUPAC2-[(2-iodobenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccccc1I
InChIInChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChIKeyCORFWQGVBFFZHF-UHFFFAOYSA-N
MW305.07 g/mol
LogP1.11
Rot. Bonds3

About 2-[(2-iodobenzoyl)amino]acetic acid

2-[(2-iodobenzoyl)amino]acetic acid (PubChem CID 8614) has the molecular formula C9H8INO3 and a molecular weight of 305.07 g/mol. Its IUPAC name is 2-[(2-iodobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-iodobenzoyl)amino]acetic acid
PubChem CID8614
Molecular FormulaC9H8INO3
Molecular Weight305.07 g/mol
Exact Mass304.95
IUPAC Name2-[(2-iodobenzoyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1ccccc1I
InChIInChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13)
InChIKeyCORFWQGVBFFZHF-UHFFFAOYSA-N
XLogP1.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.07
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Hippuric Acid
CID 464
Betamipron
CID 71651
Phenylacetylglycine
CID 68144
Phenylpropionylglycine
CID 152323
N-Benzoylaspartic acid
CID 95664
N-Propylbenzamide
CID 25354
N-benzoylglycinate
CID 4402710
2-Methylhippuric Acid
CID 91637
Iodohippurate Sodium
CID 23689317
N-(4-Chlorobenzoyl)glycine
CID 26009
N-Ethylbenzamide
CID 11959
N-Butylbenzamide
CID 76024

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodobenzoyl)amino]acetic acid?
The IUPAC name of 2-[(2-iodobenzoyl)amino]acetic acid (CID 8614) is 2-[(2-iodobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-iodobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[(2-iodobenzoyl)amino]acetic acid is O=C(O)CNC(=O)c1ccccc1I.
What is the InChIKey of 2-[(2-iodobenzoyl)amino]acetic acid?
The InChIKey is CORFWQGVBFFZHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8INO3/c10-7-4-2-1-3-6(7)9(14)11-5-8(12)13/h1-4H,5H2,(H,11,14)(H,12,13).
What are the key properties of 2-[(2-iodobenzoyl)amino]acetic acid?
2-[(2-iodobenzoyl)amino]acetic acid has a molecular weight of 305.07 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodobenzoyl)amino]acetic acid is sourced from PubChem (CID 8614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).