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

C11H10INO5 — CID 63651599

IUPAC2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1ccccc1I
InChIInChI=1S/C11H10INO5/c12-8-4-2-1-3-7(8)11(18)13(5-9(14)15)6-10(16)17/h1-4H,5-6H2,(H,14,15)(H,16,17)
InChIKeyWEIAMUSBOBFREW-UHFFFAOYSA-N
MW363.11 g/mol
LogP0.90
Rot. Bonds5

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

2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid (PubChem CID 63651599) has the molecular formula C11H10INO5 and a molecular weight of 363.11 g/mol. Its IUPAC name is 2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid
PubChem CID63651599
Molecular FormulaC11H10INO5
Molecular Weight363.11 g/mol
Exact Mass362.96
IUPAC Name2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid
SMILESO=C(O)CN(CC(=O)O)C(=O)c1ccccc1I
InChIInChI=1S/C11H10INO5/c12-8-4-2-1-3-7(8)11(18)13(5-9(14)15)6-10(16)17/h1-4H,5-6H2,(H,14,15)(H,16,17)
InChIKeyWEIAMUSBOBFREW-UHFFFAOYSA-N
XLogP0.90
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.11
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-bromobenzoyl)-(carboxymethyl)amino]acetic acid
CID 63649912
2-[(2-amino-2-oxoethyl)-(5-bromo-2-iodobenzoyl)amino]acetic acid
CID 107433911
2-iodo-N-(2-methylprop-2-enyl)-N-prop-2-ynylbenzamide
CID 11110554
N-benzyl-N-butyl-2-iodobenzamide
CID 141495475
N-(3-amino-3-oxopropyl)-N-benzyl-2-iodobenzamide
CID 28642305
3-[carboxymethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324586
2-[carboxymethyl-(2-hydroxy-5-iodobenzoyl)amino]acetic acid
CID 107731336
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220
4-(2-iodophenyl)-4-oxobutanoic acid
CID 24727008
2-[(2-amino-3-chlorobenzoyl)-(carboxymethyl)amino]acetic acid
CID 82546684
2-[(1,1-dioxothiolan-3-yl)-(2-iodobenzoyl)amino]acetic acid
CID 60845900
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-iodobenzamide
CID 79668481

Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid (CID 63651599) is 2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid is O=C(O)CN(CC(=O)O)C(=O)c1ccccc1I.
What is the InChIKey of 2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid?
The InChIKey is WEIAMUSBOBFREW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO5/c12-8-4-2-1-3-7(8)11(18)13(5-9(14)15)6-10(16)17/h1-4H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid?
2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid has a molecular weight of 363.11 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(2-iodobenzoyl)amino]acetic acid is sourced from PubChem (CID 63651599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).