2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid

C11H10INO6 — CID 107731336

IUPAC2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C11H10INO6/c12-6-1-2-8(14)7(3-6)11(19)13(4-9(15)16)5-10(17)18/h1-3,14H,4-5H2,(H,15,16)(H,17,18)
InChIKeyNIIPVNIXBCFUFO-UHFFFAOYSA-N
MW379.11 g/mol
LogP0.61
Rot. Bonds5

About 2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid

2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid (PubChem CID 107731336) has the molecular formula C11H10INO6 and a molecular weight of 379.11 g/mol. Its IUPAC name is 2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
PubChem CID107731336
Molecular FormulaC11H10INO6
Molecular Weight379.11 g/mol
Exact Mass378.96
IUPAC Name2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1cc(I)ccc1O
InChIInChI=1S/C11H10INO6/c12-6-1-2-8(14)7(3-6)11(19)13(4-9(15)16)5-10(17)18/h1-3,14H,4-5H2,(H,15,16)(H,17,18)
InChIKeyNIIPVNIXBCFUFO-UHFFFAOYSA-N
XLogP0.61
TPSA115.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.11
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-5-iodo-N,N-dipropylbenzamide
CID 103602027
N-ethyl-2-hydroxy-5-iodo-N-(2,2,2-trifluoroethyl)benzamide
CID 103614051
2-[ethyl-(2-hydroxy-5-methylbenzoyl)amino]acetic acid
CID 54901352
bis(2-hydroxy-5-iodobenzoic acid);zinc
CID 168801294
2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid
CID 107729311
N-(2-cyanoethyl)-N-ethyl-2-hydroxy-5-iodobenzamide
CID 103873674
2-[(2-hydroxy-5-methylbenzoyl)-propylamino]acetic acid
CID 61011942
2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid
CID 63651599
N-(2-bromoethyl)-2-hydroxy-5-iodo-N-methylbenzamide
CID 107732592
2-[(5-bromo-2-hydroxybenzoyl)-(cyclopropylmethyl)amino]acetic acid
CID 107729298
2-[(5-bromo-2-hydroxybenzoyl)-prop-2-enylamino]acetic acid
CID 107729428
2-[(2-amino-2-oxoethyl)-(2,3,5-triiodobenzoyl)amino]acetic acid
CID 107434496

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid (CID 107731336) is 2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)c1cc(I)ccc1O.
What is the InChIKey of 2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid?
The InChIKey is NIIPVNIXBCFUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO6/c12-6-1-2-8(14)7(3-6)11(19)13(4-9(15)16)5-10(17)18/h1-3,14H,4-5H2,(H,15,16)(H,17,18).
What are the key properties of 2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid?
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid has a molecular weight of 379.11 g/mol, XLogP of 0.61, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid is sourced from PubChem (CID 107731336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).