2-(4-iodo-2-methylanilino)propanoic acid

C10H12INO2 — CID 66173319

IUPAC2-(4-iodo-2-methylanilino)propanoic acid
SMILESCc1cc(I)ccc1NC(C)C(=O)O
InChIInChI=1S/C10H12INO2/c1-6-5-8(11)3-4-9(6)12-7(2)10(13)14/h3-5,7,12H,1-2H3,(H,13,14)
InChIKeyHOTBSZCCYMWVNX-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.48
Rot. Bonds3

About 2-(4-iodo-2-methylanilino)propanoic acid

2-(4-iodo-2-methylanilino)propanoic acid (PubChem CID 66173319) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-(4-iodo-2-methylanilino)propanoic acid.

Molecular Properties

Compound Name2-(4-iodo-2-methylanilino)propanoic acid
PubChem CID66173319
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name2-(4-iodo-2-methylanilino)propanoic acid
SMILESCc1cc(I)ccc1NC(C)C(=O)O
InChIInChI=1S/C10H12INO2/c1-6-5-8(11)3-4-9(6)12-7(2)10(13)14/h3-5,7,12H,1-2H3,(H,13,14)
InChIKeyHOTBSZCCYMWVNX-UHFFFAOYSA-N
XLogP2.48
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.48
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

2-(2,4-dimethylanilino)propanoic acid
CID 13138173
2-(4-iodo-2-nitroanilino)propanoic acid
CID 66064852
N-(4-iodo-2-methylphenyl)-2-methylbutanamide
CID 46511135
2-N-(4-iodo-2-methylphenyl)propane-1,2-diamine
CID 103388462
2-(4-iodo-2-methylphenyl)propanoic acid
CID 131284979
2-(4,5-dimethoxy-2-methylanilino)propanoic acid
CID 66173318
N'-(4-iodo-2-methylphenyl)-N-methyloxamide
CID 47224837
1-(4-iodo-2-methylphenyl)-3-methylurea
CID 47127604
2-(2,3-dimethylanilino)propanoic acid
CID 13138172
4-iodo-2-methyl-N-(1-thiophen-3-ylethyl)aniline
CID 62091392
4-iodo-2-methyl-N-[1-(1-methylcyclopropyl)ethyl]aniline
CID 43717065
N'-(4-iodo-2-methylphenyl)-N-propan-2-ylbenzohydrazide
CID 90742414

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodo-2-methylanilino)propanoic acid?
The IUPAC name of 2-(4-iodo-2-methylanilino)propanoic acid (CID 66173319) is 2-(4-iodo-2-methylanilino)propanoic acid.
What is the SMILES notation for 2-(4-iodo-2-methylanilino)propanoic acid?
The canonical SMILES for 2-(4-iodo-2-methylanilino)propanoic acid is Cc1cc(I)ccc1NC(C)C(=O)O.
What is the InChIKey of 2-(4-iodo-2-methylanilino)propanoic acid?
The InChIKey is HOTBSZCCYMWVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-6-5-8(11)3-4-9(6)12-7(2)10(13)14/h3-5,7,12H,1-2H3,(H,13,14).
What are the key properties of 2-(4-iodo-2-methylanilino)propanoic acid?
2-(4-iodo-2-methylanilino)propanoic acid has a molecular weight of 305.12 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodo-2-methylanilino)propanoic acid is sourced from PubChem (CID 66173319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).