2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid

C12H14INO4 — CID 55076619

IUPAC2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccccc1I)C(=O)O
InChIInChI=1S/C12H14INO4/c1-18-7-6-10(12(16)17)14-11(15)8-4-2-3-5-9(8)13/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeySROKOWQBCHIZCP-UHFFFAOYSA-N
MW363.15 g/mol
LogP1.51
Rot. Bonds6

About 2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid

2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid (PubChem CID 55076619) has the molecular formula C12H14INO4 and a molecular weight of 363.15 g/mol. Its IUPAC name is 2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid.

Molecular Properties

Compound Name2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid
PubChem CID55076619
Molecular FormulaC12H14INO4
Molecular Weight363.15 g/mol
Exact Mass363.00
IUPAC Name2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid
SMILESCOCCC(NC(=O)c1ccccc1I)C(=O)O
InChIInChI=1S/C12H14INO4/c1-18-7-6-10(12(16)17)14-11(15)8-4-2-3-5-9(8)13/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeySROKOWQBCHIZCP-UHFFFAOYSA-N
XLogP1.51
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.15
LogP ≤ 51.51
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-iodobenzoyl)amino]pentanedioic acid
CID 3028418
(2S)-5-ethoxy-2-[(2-iodobenzoyl)amino]-5-oxopentanoic acid
CID 107039298
2-[(2-iodobenzoyl)amino]-3-sulfanylpropanoic acid
CID 16775410
methyl (2S)-2-[(2-iodobenzoyl)amino]-4-methylpentanoate
CID 1224241
2-[(3-bromonaphthalene-1-carbonyl)amino]-4-methoxybutanoic acid
CID 120702545
2-[(2,5-difluorobenzoyl)amino]-4-methoxybutanoic acid
CID 55076044
2-[(2-hydroxy-5-methylbenzoyl)amino]-4-methoxybutanoic acid
CID 55075944
4-hydroxy-2-[[2-(methoxymethyl)benzoyl]amino]butanoic acid
CID 61243092
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
3-methoxy-2-(naphthalene-1-carbonylamino)propanoic acid
CID 70817249
2-[(2-methoxycarbonylbenzoyl)amino]pentanedioic acid
CID 108785494
4-methoxy-2-[(4-methoxy-2-methylbenzoyl)amino]butanoic acid
CID 120703108

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid?
The IUPAC name of 2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid (CID 55076619) is 2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid.
What is the SMILES notation for 2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid?
The canonical SMILES for 2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid is COCCC(NC(=O)c1ccccc1I)C(=O)O.
What is the InChIKey of 2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid?
The InChIKey is SROKOWQBCHIZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO4/c1-18-7-6-10(12(16)17)14-11(15)8-4-2-3-5-9(8)13/h2-5,10H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid?
2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid has a molecular weight of 363.15 g/mol, XLogP of 1.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodobenzoyl)amino]-4-methoxybutanoic acid is sourced from PubChem (CID 55076619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).