2-amino-2-(4-iodophenyl)acetic acid;hydrochloride

C8H9ClINO2 — CID 67151724

IUPAC2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccc(I)cc1
InChIInChI=1S/C8H8INO2.ClH/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7H,10H2,(H,11,12);1H
InChIKeyPFAVDLHHWFDCIL-UHFFFAOYSA-N
MW313.52 g/mol
LogP1.80
Rot. Bonds2

About 2-amino-2-(4-iodophenyl)acetic acid;hydrochloride

2-amino-2-(4-iodophenyl)acetic acid;hydrochloride (PubChem CID 67151724) has the molecular formula C8H9ClINO2 and a molecular weight of 313.52 g/mol. Its IUPAC name is 2-amino-2-(4-iodophenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
PubChem CID67151724
Molecular FormulaC8H9ClINO2
Molecular Weight313.52 g/mol
Exact Mass312.94
IUPAC Name2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccc(I)cc1
InChIInChI=1S/C8H8INO2.ClH/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7H,10H2,(H,11,12);1H
InChIKeyPFAVDLHHWFDCIL-UHFFFAOYSA-N
XLogP1.80
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.52
LogP ≤ 51.80
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

(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
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3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid
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CID 172809734
CID 172809734
2-amino-2-pyridin-4-ylacetic acid;hydrochloride
CID 42614333
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
2-amino-2-[4-(aminomethyl)phenyl]acetic acid
CID 21252767
2-amino-2-(4-hydroxy-3-iodophenyl)acetic acid
CID 24349
(2S)-2-amino-2-(4-sulfophenyl)acetic acid
CID 46885569
(2S)-2-amino-2-[4-(dimethylamino)phenyl]acetic acid
CID 7022656
2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid
CID 77129028

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-iodophenyl)acetic acid;hydrochloride?
The IUPAC name of 2-amino-2-(4-iodophenyl)acetic acid;hydrochloride (CID 67151724) is 2-amino-2-(4-iodophenyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-iodophenyl)acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(4-iodophenyl)acetic acid;hydrochloride is Cl.NC(C(=O)O)c1ccc(I)cc1.
What is the InChIKey of 2-amino-2-(4-iodophenyl)acetic acid;hydrochloride?
The InChIKey is PFAVDLHHWFDCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2.ClH/c9-6-3-1-5(2-4-6)7(10)8(11)12;/h1-4,7H,10H2,(H,11,12);1H.
What are the key properties of 2-amino-2-(4-iodophenyl)acetic acid;hydrochloride?
2-amino-2-(4-iodophenyl)acetic acid;hydrochloride has a molecular weight of 313.52 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-iodophenyl)acetic acid;hydrochloride is sourced from PubChem (CID 67151724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).