methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate

C12H14INO3 — CID 71968778

IUPACmethyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1c(C)cccc1I
InChIInChI=1S/C12H14INO3/c1-8-4-3-5-9(13)11(8)12(16)14-7-6-10(15)17-2/h3-5H,6-7H2,1-2H3,(H,14,16)
InChIKeyGFHYEHYPCSWBPG-UHFFFAOYSA-N
MW347.15 g/mol
LogP1.89
Rot. Bonds4

About methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate

methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate (PubChem CID 71968778) has the molecular formula C12H14INO3 and a molecular weight of 347.15 g/mol. Its IUPAC name is methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate
PubChem CID71968778
Molecular FormulaC12H14INO3
Molecular Weight347.15 g/mol
Exact Mass347.00
IUPAC Namemethyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)c1c(C)cccc1I
InChIInChI=1S/C12H14INO3/c1-8-4-3-5-9(13)11(8)12(16)14-7-6-10(15)17-2/h3-5H,6-7H2,1-2H3,(H,14,16)
InChIKeyGFHYEHYPCSWBPG-UHFFFAOYSA-N
XLogP1.89
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-fluoro-6-hydroxybenzoyl)amino]propanoate
CID 104916458
methyl 3-[(2-bromo-6-fluorobenzoyl)amino]propanoate
CID 115678601
2-iodo-6-methyl-N-propan-2-ylbenzamide
CID 162534014
methyl 3-[(2-methylphenyl)sulfonylcarbamoylamino]propanoate
CID 174899079
N-[3-(3-fluorophenyl)propyl]-2-iodo-6-methylbenzamide
CID 71849358
methyl 3-[(3-carbamoylbenzoyl)amino]propanoate
CID 47159745
methyl 3-[(3-amino-4-methylbenzoyl)amino]propanoate
CID 43665854
methyl 3-(carboniodidoylamino)propanoate
CID 129042204
4-O-(2,3-dimethylphenyl) 1-O-methyl butanedioate
CID 94263255
methyl 3-(2-methylanilino)propanoate
CID 12805940
methyl 3-[(2-methylpyridine-3-carbonyl)amino]propanoate
CID 78950792
methyl 3-[(6-bromopyridine-2-carbonyl)amino]propanoate
CID 18918524

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate?
The IUPAC name of methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate (CID 71968778) is methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate?
The canonical SMILES for methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate is COC(=O)CCNC(=O)c1c(C)cccc1I.
What is the InChIKey of methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate?
The InChIKey is GFHYEHYPCSWBPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14INO3/c1-8-4-3-5-9(13)11(8)12(16)14-7-6-10(15)17-2/h3-5H,6-7H2,1-2H3,(H,14,16).
What are the key properties of methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate?
methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate has a molecular weight of 347.15 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-iodo-6-methylbenzoyl)amino]propanoate is sourced from PubChem (CID 71968778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).