2-[1-(4-iodophenyl)ethylamino]acetic acid

C10H12INO2 — CID 43774198

IUPAC2-[1-(4-iodophenyl)ethylamino]acetic acid
SMILESCC(NCC(=O)O)c1ccc(I)cc1
InChIInChI=1S/C10H12INO2/c1-7(12-6-10(13)14)8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyYDDPECDFCVYSGJ-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.03
Rot. Bonds4

About 2-[1-(4-iodophenyl)ethylamino]acetic acid

2-[1-(4-iodophenyl)ethylamino]acetic acid (PubChem CID 43774198) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is 2-[1-(4-iodophenyl)ethylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(4-iodophenyl)ethylamino]acetic acid
PubChem CID43774198
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name2-[1-(4-iodophenyl)ethylamino]acetic acid
SMILESCC(NCC(=O)O)c1ccc(I)cc1
InChIInChI=1S/C10H12INO2/c1-7(12-6-10(13)14)8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14)
InChIKeyYDDPECDFCVYSGJ-UHFFFAOYSA-N
XLogP2.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.03
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-[1-(4-propan-2-ylphenyl)ethylamino]acetic acid
CID 43135086
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]acetic acid
CID 81354147
3-[1-(4-iodophenyl)ethylamino]propane-1,2-diol
CID 66175909
N-[1-(4-iodophenyl)ethyl]-2-phenylpropan-1-amine
CID 43769130
[1-[[1-(4-iodophenyl)ethylamino]methyl]cyclopropyl]methanol
CID 81343754
N-[2-[1-(4-iodophenyl)ethylamino]ethyl]cyclopropanecarboxamide
CID 113259819
2,2,2-trifluoro-N-[1-(4-iodophenyl)ethyl]ethanamine
CID 43755062
N-propan-2-yl-2-[1-(4-propan-2-ylphenyl)ethylamino]acetamide
CID 43398085
N-[(1R)-1-phenylethyl]-2-[[(1R)-1-phenylethyl]amino]acetamide
CID 7046108
2-(4-aminobutylamino)acetic acid;2-[[(1S)-1-phenylethyl]amino]acetic acid
CID 66713407
N-[1-(4-iodophenyl)ethyl]-2-methyl-2-phenylpropan-1-amine
CID 63451569
(1R)-1-(4-iodophenyl)-N-(2-methoxyethyl)ethanamine
CID 93281051

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-iodophenyl)ethylamino]acetic acid?
The IUPAC name of 2-[1-(4-iodophenyl)ethylamino]acetic acid (CID 43774198) is 2-[1-(4-iodophenyl)ethylamino]acetic acid.
What is the SMILES notation for 2-[1-(4-iodophenyl)ethylamino]acetic acid?
The canonical SMILES for 2-[1-(4-iodophenyl)ethylamino]acetic acid is CC(NCC(=O)O)c1ccc(I)cc1.
What is the InChIKey of 2-[1-(4-iodophenyl)ethylamino]acetic acid?
The InChIKey is YDDPECDFCVYSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12INO2/c1-7(12-6-10(13)14)8-2-4-9(11)5-3-8/h2-5,7,12H,6H2,1H3,(H,13,14).
What are the key properties of 2-[1-(4-iodophenyl)ethylamino]acetic acid?
2-[1-(4-iodophenyl)ethylamino]acetic acid has a molecular weight of 305.12 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-iodophenyl)ethylamino]acetic acid is sourced from PubChem (CID 43774198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).