2-[(2-iodophenyl)methyl-methylamino]acetic acid

C10H12INO2 — CID 66568489

IUPAC2-[(2-iodophenyl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1ccccc1I
InChIInChI=1S/C10H12INO2/c1-12(7-10(13)14)6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyDBRMVQMIODTSBY-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.81
Rot. Bonds4

About 2-[(2-iodophenyl)methyl-methylamino]acetic acid

2-[(2-iodophenyl)methyl-methylamino]acetic acid (PubChem CID 66568489) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-[(2-iodophenyl)methyl-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-iodophenyl)methyl-methylamino]acetic acid
PubChem CID66568489
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name2-[(2-iodophenyl)methyl-methylamino]acetic acid
SMILESCN(CC(=O)O)Cc1ccccc1I
InChIInChI=1S/C10H12INO2/c1-12(7-10(13)14)6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyDBRMVQMIODTSBY-UHFFFAOYSA-N
XLogP1.81
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-iodophenyl)methyl-methylamino]-1-(4-phenylmethoxyphenyl)ethanone
CID 10390011
2-[(7-ethyl-1H-indol-3-yl)methyl-methylamino]acetic acid
CID 65056186
2-[(3-chloro-2-methylphenyl)methyl-methylamino]acetic acid
CID 136560023
2-[(3-cyano-2-fluorophenyl)methyl-methylamino]acetic acid
CID 107118765
1-[benzyl-[(2-iodophenyl)methyl]amino]propan-2-one
CID 86212256
(2R,3R)-2,3-bis[(2-iodophenyl)methyl-methylamino]-1,4-diphenylbutane-1,4-dione
CID 11050868
2-[(2-hydroxy-3-methoxyphenyl)methyl-methylamino]acetic acid
CID 65056423
2-[2-[[[2-(diethylamino)-2-oxoethyl]-methylamino]methyl]phenyl]acetic acid
CID 115462716
(2S)-2-amino-N-[(2-iodophenyl)methyl]-N-methylpropanamide
CID 66568428
2-[2-[[methyl(2,2,2-trifluoroethyl)amino]methyl]phenyl]acetic acid
CID 115462619
2-[methyl(pyren-1-ylmethyl)amino]acetic acid
CID 86074148
4-[benzyl-[(2-iodophenyl)methyl]amino]butan-2-one
CID 86212404

Frequently Asked Questions

What is the IUPAC name of 2-[(2-iodophenyl)methyl-methylamino]acetic acid?
The IUPAC name of 2-[(2-iodophenyl)methyl-methylamino]acetic acid (CID 66568489) is 2-[(2-iodophenyl)methyl-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-iodophenyl)methyl-methylamino]acetic acid?
The canonical SMILES for 2-[(2-iodophenyl)methyl-methylamino]acetic acid is CN(CC(=O)O)Cc1ccccc1I.
What is the InChIKey of 2-[(2-iodophenyl)methyl-methylamino]acetic acid?
The InChIKey is DBRMVQMIODTSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-12(7-10(13)14)6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of 2-[(2-iodophenyl)methyl-methylamino]acetic acid?
2-[(2-iodophenyl)methyl-methylamino]acetic acid has a molecular weight of 305.12 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-iodophenyl)methyl-methylamino]acetic acid is sourced from PubChem (CID 66568489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).