2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate

C8H16INO2 — CID 147484902

IUPAC2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate
SMILESCC(CI)C(=O)OCCN(C)C
InChIInChI=1S/C8H16INO2/c1-7(6-9)8(11)12-5-4-10(2)3/h7H,4-6H2,1-3H3
InChIKeyFEJLTPHNUJOCAX-UHFFFAOYSA-N
MW285.12 g/mol
LogP1.16
Rot. Bonds5

About 2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate

2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate (PubChem CID 147484902) has the molecular formula C8H16INO2 and a molecular weight of 285.12 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate
PubChem CID147484902
Molecular FormulaC8H16INO2
Molecular Weight285.12 g/mol
Exact Mass285.02
IUPAC Name2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate
SMILESCC(CI)C(=O)OCCN(C)C
InChIInChI=1S/C8H16INO2/c1-7(6-9)8(11)12-5-4-10(2)3/h7H,4-6H2,1-3H3
InChIKeyFEJLTPHNUJOCAX-UHFFFAOYSA-N
XLogP1.16
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.12
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)ethyl 2,3-diiodopropanoate
CID 147574545
2-(dimethylamino)ethyl 2-hydroxypropanoate
CID 14179203
2-(dimethylamino)ethyl 2,3-dimethylbutanoate
CID 153241938
bis[2-(dimethylamino)ethyl] 2,3-dihydroxybutanedioate
CID 174588921
1-O-[2-(dimethylamino)ethyl] 5-O-ethyl 2-chloro-4-methylpentanedioate
CID 90051387
1-O-[2-(dimethylamino)ethyl] 5-O-methyl 2-bromo-4-methylpentanedioate
CID 20826091
2-(dimethylamino)ethyl N,N-dimethylcarbamate
CID 15114748
1-O-[2-(dimethylamino)ethyl] 5-O-docosyl 4-ethyl-2-methylpentanedioate;methane
CID 160751853
2-(dimethylamino)ethyl 2-amino-2-oxoacetate
CID 89128247
1-O-[2-(dimethylamino)ethyl] 4-O-propan-2-yl but-2-enedioate
CID 85365439
4-amino-5-[2-(dimethylamino)ethoxy]-5-oxopentanoic acid
CID 170721410
nonyl 8-[3-(dimethylamino)propyl-(7-methyl-8-nonoxy-8-oxooctyl)amino]-2-methyloctanoate
CID 171659004

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate?
The IUPAC name of 2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate (CID 147484902) is 2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate.
What is the SMILES notation for 2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate?
The canonical SMILES for 2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate is CC(CI)C(=O)OCCN(C)C.
What is the InChIKey of 2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate?
The InChIKey is FEJLTPHNUJOCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16INO2/c1-7(6-9)8(11)12-5-4-10(2)3/h7H,4-6H2,1-3H3.
What are the key properties of 2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate?
2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate has a molecular weight of 285.12 g/mol, XLogP of 1.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 3-iodo-2-methylpropanoate is sourced from PubChem (CID 147484902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).