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

C9H10INO3 — CID 130141983

IUPAC3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid
SMILESNC(CC(=O)O)c1cccc(I)c1O
InChIInChI=1S/C9H10INO3/c10-6-3-1-2-5(9(6)14)7(11)4-8(12)13/h1-3,7,14H,4,11H2,(H,12,13)
InChIKeySZXPUHKOHSUILV-UHFFFAOYSA-N
MW307.09 g/mol
LogP1.47
Rot. Bonds3

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

3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid (PubChem CID 130141983) has the molecular formula C9H10INO3 and a molecular weight of 307.09 g/mol. Its IUPAC name is 3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid.

Molecular Properties

Compound Name3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid
PubChem CID130141983
Molecular FormulaC9H10INO3
Molecular Weight307.09 g/mol
Exact Mass306.97
IUPAC Name3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid
SMILESNC(CC(=O)O)c1cccc(I)c1O
InChIInChI=1S/C9H10INO3/c10-6-3-1-2-5(9(6)14)7(11)4-8(12)13/h1-3,7,14H,4,11H2,(H,12,13)
InChIKeySZXPUHKOHSUILV-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-3-(3-iodo-2-methylphenyl)propanoic acid
CID 130747299
(2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid
CID 66513231
3-amino-3-(2-hydroxy-3,5-diiodophenyl)propanoic acid
CID 85057067
3-amino-3-[2-hydroxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 84706912
3-amino-3-(2-bromo-3-hydroxyphenyl)propanoic acid
CID 130041935
3-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 55297682
(3S)-3-amino-3-(2,3-diaminophenyl)propanoic acid
CID 55268840
(3S)-3-amino-3-(2-amino-3-methylphenyl)propanoic acid
CID 131076446
(3R)-3-amino-3-(2-amino-3-chlorophenyl)propanoic acid
CID 130609315
(3S)-3-amino-3-(3-fluoro-2-methylphenyl)propanoic acid
CID 55272321
(3S)-3-amino-3-(2-sulfanylidene-1H-pyridin-3-yl)propanoic acid
CID 55273447
3-amino-3-(2,6-dimethylphenyl)propanoic acid
CID 53441887

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid?
The IUPAC name of 3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid (CID 130141983) is 3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid.
What is the SMILES notation for 3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid?
The canonical SMILES for 3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid is NC(CC(=O)O)c1cccc(I)c1O.
What is the InChIKey of 3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid?
The InChIKey is SZXPUHKOHSUILV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10INO3/c10-6-3-1-2-5(9(6)14)7(11)4-8(12)13/h1-3,7,14H,4,11H2,(H,12,13).
What are the key properties of 3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid?
3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid has a molecular weight of 307.09 g/mol, XLogP of 1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid is sourced from PubChem (CID 130141983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).