3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid

C9H10INO3 — CID 18431576

IUPAC3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid
SMILESNC(c1ccc(I)cc1)C(O)C(=O)O
InChIInChI=1S/C9H10INO3/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)
InChIKeyGTLAMOOBGGBYMV-UHFFFAOYSA-N
MW307.09 g/mol
LogP0.74
Rot. Bonds3

About 3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid

3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid (PubChem CID 18431576) has the molecular formula C9H10INO3 and a molecular weight of 307.09 g/mol. Its IUPAC name is 3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid
PubChem CID18431576
Molecular FormulaC9H10INO3
Molecular Weight307.09 g/mol
Exact Mass306.97
IUPAC Name3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid
SMILESNC(c1ccc(I)cc1)C(O)C(=O)O
InChIInChI=1S/C9H10INO3/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,12H,11H2,(H,13,14)
InChIKeyGTLAMOOBGGBYMV-UHFFFAOYSA-N
XLogP0.74
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.09
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-3-amino-3-(4-fluorophenyl)-2-hydroxypropanoic acid
CID 40787336
4-[(1S,2R)-1-amino-2-carboxy-2-hydroxyethyl]benzoic acid
CID 70149736
(2R,3S)-3-amino-2-hydroxy-3-(4-methylphenyl)propanoic acid
CID 67807121
(2S,3S)-3-amino-2-hydroxy-3-phenylpropanoic acid;methane
CID 159519060
2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
CID 67151724
(2S,3S)-3-amino-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 2762309
3-amino-2-hydroxy-3-phenylpropanoate
CID 22033560
(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride
CID 171261933
(1R,2S)-1-amino-1-(4-iodophenyl)pentan-2-ol
CID 171261947
(2R,3S)-3-amino-2-hydroxy-3-phenylpropanamide;hydrochloride
CID 24994544
(1R,2S)-1-amino-1-(4-iodophenyl)-5-methylhexan-2-ol
CID 171261951
3-amino-2-hydroxy-3-(3-methoxyphenyl)propanoic acid
CID 53398455

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid?
The IUPAC name of 3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid (CID 18431576) is 3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid.
What is the SMILES notation for 3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid?
The canonical SMILES for 3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid is NC(c1ccc(I)cc1)C(O)C(=O)O.
What is the InChIKey of 3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid?
The InChIKey is GTLAMOOBGGBYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO3/c10-6-3-1-5(2-4-6)7(11)8(12)9(13)14/h1-4,7-8,12H,11H2,(H,13,14).
What are the key properties of 3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid?
3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid has a molecular weight of 307.09 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-3-(4-iodophenyl)propanoic acid is sourced from PubChem (CID 18431576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).