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

C9H10INO3 — CID 131052105

IUPAC(3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
SMILESN[C@@H](CC(=O)O)c1ccc(O)c(I)c1
InChIInChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)7(11)4-9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
InChIKeyWGDQMDQCLHQPBM-ZETCQYMHSA-N
MW307.09 g/mol
LogP1.47
Rot. Bonds3

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

(3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid (PubChem CID 131052105) has the molecular formula C9H10INO3 and a molecular weight of 307.09 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
PubChem CID131052105
Molecular FormulaC9H10INO3
Molecular Weight307.09 g/mol
Exact Mass306.97
IUPAC Name(3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid
SMILESN[C@@H](CC(=O)O)c1ccc(O)c(I)c1
InChIInChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)7(11)4-9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1
InChIKeyWGDQMDQCLHQPBM-ZETCQYMHSA-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-amino-3-(4-fluoro-3-iodophenyl)propanoic acid
CID 131224032
2-amino-2-(4-hydroxy-3-iodophenyl)acetic acid
CID 24349
3-amino-3-[3-(1-fluoroethyl)-4-hydroxyphenyl]propanoic acid
CID 84691068
(3S)-3-amino-3-(3,5-dihydroxyphenyl)propanoic acid
CID 55273061
3-amino-3-(4-hydroxy-3-phenylmethoxyphenyl)propanoic acid
CID 117463513
3-amino-3-(3-amino-4-bromophenyl)propanoic acid
CID 117115837
(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
3-amino-3-(2,5-dihydroxyphenyl)propanoic acid
CID 53417335
(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
CID 127263273
(3S)-3-amino-3-[4-(difluoromethyl)phenyl]propanoic acid
CID 79016031
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid?
The IUPAC name of (3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid (CID 131052105) is (3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid?
The canonical SMILES for (3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid is N[C@@H](CC(=O)O)c1ccc(O)c(I)c1.
What is the InChIKey of (3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid?
The InChIKey is WGDQMDQCLHQPBM-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H10INO3/c10-6-3-5(1-2-8(6)12)7(11)4-9(13)14/h1-3,7,12H,4,11H2,(H,13,14)/t7-/m0/s1.
What are the key properties of (3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid?
(3S)-3-amino-3-(4-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 (3S)-3-amino-3-(4-hydroxy-3-iodophenyl)propanoic acid is sourced from PubChem (CID 131052105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).