(2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid

C8H8INO3 — CID 66513231

IUPAC(2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid
SMILESN[C@H](C(=O)O)c1cccc(I)c1O
InChIInChI=1S/C8H8INO3/c9-5-3-1-2-4(7(5)11)6(10)8(12)13/h1-3,6,11H,10H2,(H,12,13)/t6-/m0/s1
InChIKeyLXHSIRVIIRRMPT-LURJTMIESA-N
MW293.06 g/mol
LogP1.08
Rot. Bonds2

About (2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid

(2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid (PubChem CID 66513231) has the molecular formula C8H8INO3 and a molecular weight of 293.06 g/mol. Its IUPAC name is (2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid
PubChem CID66513231
Molecular FormulaC8H8INO3
Molecular Weight293.06 g/mol
Exact Mass292.95
IUPAC Name(2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid
SMILESN[C@H](C(=O)O)c1cccc(I)c1O
InChIInChI=1S/C8H8INO3/c9-5-3-1-2-4(7(5)11)6(10)8(12)13/h1-3,6,11H,10H2,(H,12,13)/t6-/m0/s1
InChIKeyLXHSIRVIIRRMPT-LURJTMIESA-N
XLogP1.08
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.06
LogP ≤ 51.08
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

3-amino-3-(2-hydroxy-3-iodophenyl)propanoic acid
CID 130141983
2-amino-2-(2-hydroxy-3-methylsulfanylphenyl)acetic acid
CID 77128813
2-[(1R)-1-aminoprop-2-enyl]-6-iodophenol
CID 130635018
(2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid
CID 130632401
2-amino-2-(2-amino-3-methylphenyl)acetic acid
CID 55282841
(2S)-2-amino-2-(2-iodo-6-methoxyphenyl)acetic acid
CID 131029267
2-(2-iodophenyl)propanedioic acid
CID 172796761
acetic acid;3-iodobenzene-1,2-diol
CID 71350650
2-amino-2-(3-chloro-2-fluorophenyl)acetic acid;hydrochloride
CID 175479963
2-amino-2-(2-chloro-3-methylphenyl)acetic acid;hydrochloride
CID 138109176
(2S)-2-hydroxy-2-(2-iodophenyl)acetic acid
CID 139199353
2-butan-2-yl-6-iodophenol
CID 11242844

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid (CID 66513231) is (2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid is N[C@H](C(=O)O)c1cccc(I)c1O.
What is the InChIKey of (2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid?
The InChIKey is LXHSIRVIIRRMPT-LURJTMIESA-N. The full InChI is InChI=1S/C8H8INO3/c9-5-3-1-2-4(7(5)11)6(10)8(12)13/h1-3,6,11H,10H2,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid?
(2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid has a molecular weight of 293.06 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid is sourced from PubChem (CID 66513231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).