2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid

C12H14INO4 — CID 110495219

IUPAC2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid
SMILESCC(OCCNC(=O)c1ccc(I)cc1)C(=O)O
InChIInChI=1S/C12H14INO4/c1-8(12(16)17)18-7-6-14-11(15)9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyBJDUKZPXHIVPCO-UHFFFAOYSA-N
MW363.15 g/mol
LogP1.51
Rot. Bonds6

About 2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid

2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid (PubChem CID 110495219) has the molecular formula C12H14INO4 and a molecular weight of 363.15 g/mol. Its IUPAC name is 2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid
PubChem CID110495219
Molecular FormulaC12H14INO4
Molecular Weight363.15 g/mol
Exact Mass363.00
IUPAC Name2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid
SMILESCC(OCCNC(=O)c1ccc(I)cc1)C(=O)O
InChIInChI=1S/C12H14INO4/c1-8(12(16)17)18-7-6-14-11(15)9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyBJDUKZPXHIVPCO-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-iodo-N-(3-methylbutyl)benzamide
CID 2232834
4-iodo-N-[2-(4-methoxyphenoxy)ethyl]benzamide
CID 2222983
2-[2-[(3-ethoxybenzoyl)amino]ethoxy]propanoic acid
CID 110495239
4-iodo-N-[2-(6-phenylpyridazin-3-yl)oxyethyl]benzamide
CID 27564835
2-[2-[(2-bromobenzoyl)amino]ethoxy]propanoic acid
CID 110495130
2-[[(4-iodobenzoyl)amino]methyl]-3-methylbutanoic acid
CID 65220470
2-[2-[(2,4-difluorobenzoyl)amino]ethoxy]propanoic acid
CID 110495256
4-(chloromethyl)-N-(2-propan-2-yloxyethyl)benzamide
CID 104759817
2-hydroxy-3-[(4-iodobenzoyl)amino]propanoic acid
CID 66167865
4-iodo-N-(3-iodopropyl)benzamide
CID 114504016
N-(2,2-dimethoxyethyl)-4-iodobenzamide
CID 10903782
4-iodo-N-(2-phenylethyl)benzamide
CID 1348743

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid?
The IUPAC name of 2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid (CID 110495219) is 2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid.
What is the SMILES notation for 2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid?
The canonical SMILES for 2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid is CC(OCCNC(=O)c1ccc(I)cc1)C(=O)O.
What is the InChIKey of 2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid?
The InChIKey is BJDUKZPXHIVPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO4/c1-8(12(16)17)18-7-6-14-11(15)9-2-4-10(13)5-3-9/h2-5,8H,6-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic acid?
2-[2-[(4-iodobenzoyl)amino]ethoxy]propanoic 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-[(4-iodobenzoyl)amino]ethoxy]propanoic acid is sourced from PubChem (CID 110495219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).