methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate

C11H14INO3S — CID 78950585

IUPACmethyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1csc(I)c1
InChIInChI=1S/C11H14INO3S/c1-7(11(15)16-3)5-13(2)10(14)8-4-9(12)17-6-8/h4,6-7H,5H2,1-3H3
InChIKeySSDWTEWJHPEZJL-UHFFFAOYSA-N
MW367.21 g/mol
LogP2.23
Rot. Bonds4

About methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate

methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate (PubChem CID 78950585) has the molecular formula C11H14INO3S and a molecular weight of 367.21 g/mol. Its IUPAC name is methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate
PubChem CID78950585
Molecular FormulaC11H14INO3S
Molecular Weight367.21 g/mol
Exact Mass366.97
IUPAC Namemethyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN(C)C(=O)c1csc(I)c1
InChIInChI=1S/C11H14INO3S/c1-7(11(15)16-3)5-13(2)10(14)8-4-9(12)17-6-8/h4,6-7H,5H2,1-3H3
InChIKeySSDWTEWJHPEZJL-UHFFFAOYSA-N
XLogP2.23
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(3,5-dimethylbenzoyl)-methylamino]-2-methylpropanoate
CID 55007974
N-(3-aminopropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 81482711
methyl 2-methyl-3-[methyl-(5-methylfuran-3-carbonyl)amino]propanoate
CID 114822109
methyl 3-[(3-chlorothiophene-2-carbonyl)-methylamino]-2-methylpropanoate
CID 80641870
methyl 3-[(3-chlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008439
N-(2-hydroxy-2-methylpropyl)-5-iodo-N-methylthiophene-3-carboxamide
CID 79601816
methyl 3-[(3-bromo-5-fluorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008265
methyl 3-[(4-amino-3-methoxybenzoyl)-methylamino]-2-methylpropanoate
CID 104782621
methyl 3-[(6-bromopyridine-3-carbonyl)-methylamino]-2-methylpropanoate
CID 66463709
N-(1-bromopropan-2-yl)-5-iodo-N-methylthiophene-3-carboxamide
CID 104556113
methyl 3-[(2,4-dihydroxybenzoyl)-methylamino]-2-methylpropanoate
CID 55008203
methyl 2-methyl-3-[methyl-(4-methyl-1,3-thiazole-5-carbonyl)amino]propanoate
CID 55008025

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate (CID 78950585) is methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate is COC(=O)C(C)CN(C)C(=O)c1csc(I)c1.
What is the InChIKey of methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate?
The InChIKey is SSDWTEWJHPEZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14INO3S/c1-7(11(15)16-3)5-13(2)10(14)8-4-9(12)17-6-8/h4,6-7H,5H2,1-3H3.
What are the key properties of methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate?
methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate has a molecular weight of 367.21 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-iodothiophene-3-carbonyl)-methylamino]-2-methylpropanoate is sourced from PubChem (CID 78950585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).