(2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid

C8H8INO3 — CID 130632401

IUPAC(2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid
SMILESN[C@@H](C(=O)O)c1ccc(I)cc1O
InChIInChI=1S/C8H8INO3/c9-4-1-2-5(6(11)3-4)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1
InChIKeyPMBMTGQFWYUJMV-SSDOTTSWSA-N
MW293.06 g/mol
LogP1.08
Rot. Bonds2

About (2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid

(2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid (PubChem CID 130632401) has the molecular formula C8H8INO3 and a molecular weight of 293.06 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid
PubChem CID130632401
Molecular FormulaC8H8INO3
Molecular Weight293.06 g/mol
Exact Mass292.95
IUPAC Name(2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid
SMILESN[C@@H](C(=O)O)c1ccc(I)cc1O
InChIInChI=1S/C8H8INO3/c9-4-1-2-5(6(11)3-4)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1
InChIKeyPMBMTGQFWYUJMV-SSDOTTSWSA-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

(2S)-2-amino-2-(2-fluoro-4-iodophenyl)acetic acid
CID 66513291
(2S)-2-amino-2-(4-chloro-2-hydroxyphenyl)acetic acid
CID 66510595
2-[(1S)-1-amino-2,2,2-trifluoroethyl]-5-iodophenol
CID 66512553
2-amino-2-(4-iodophenyl)acetic acid;hydrochloride
CID 67151724
2-amino-2-(3-hydroxy-4-pyridinyl)acetic acid
CID 55293514
(2S)-2-amino-2-(2-hydroxy-4-piperazin-1-ylphenyl)acetic acid
CID 66512719
2-(2-amino-4-iodophenyl)-2-hydroxyacetic acid
CID 119011456
3-[(S)-amino(carboxy)methyl]-4-hydroxybenzoic acid
CID 66512316
2-amino-2-(4-hydroxy-3-iodophenyl)acetic acid
CID 24349
(2S)-2-amino-2-(2-hydroxy-3-iodophenyl)acetic acid
CID 66513231
2-(1-amino-2-cyclopropylethyl)-5-iodophenol
CID 130062553
2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
CID 84682427

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid?
The IUPAC name of (2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid (CID 130632401) is (2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid?
The canonical SMILES for (2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid is N[C@@H](C(=O)O)c1ccc(I)cc1O.
What is the InChIKey of (2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid?
The InChIKey is PMBMTGQFWYUJMV-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H8INO3/c9-4-1-2-5(6(11)3-4)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid?
(2R)-2-amino-2-(2-hydroxy-4-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 (2R)-2-amino-2-(2-hydroxy-4-iodophenyl)acetic acid is sourced from PubChem (CID 130632401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).