(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride

C10H13ClINO2 — CID 162344777

IUPAC(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
SMILESCc1c(I)cccc1C[C@@H](N)C(=O)O.Cl
InChIInChI=1S/C10H12INO2.ClH/c1-6-7(3-2-4-8(6)11)5-9(12)10(13)14;/h2-4,9H,5,12H2,1H3,(H,13,14);1H/t9-;/m1./s1
InChIKeyWEJHMPYGFWWNJC-SBSPUUFOSA-N
MW341.58 g/mol
LogP1.98
Rot. Bonds3

About (2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride

(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride (PubChem CID 162344777) has the molecular formula C10H13ClINO2 and a molecular weight of 341.58 g/mol. Its IUPAC name is (2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
PubChem CID162344777
Molecular FormulaC10H13ClINO2
Molecular Weight341.58 g/mol
Exact Mass340.97
IUPAC Name(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
SMILESCc1c(I)cccc1C[C@@H](N)C(=O)O.Cl
InChIInChI=1S/C10H12INO2.ClH/c1-6-7(3-2-4-8(6)11)5-9(12)10(13)14;/h2-4,9H,5,12H2,1H3,(H,13,14);1H/t9-;/m1./s1
InChIKeyWEJHMPYGFWWNJC-SBSPUUFOSA-N
XLogP1.98
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.58
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108
(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 130643080
(2R)-2-amino-3-(2-hydroxy-3-methylphenyl)propanoic acid
CID 67254356
2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid
CID 138535602
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CID 154728811
(3S)-3-amino-3-(3-iodo-2-methylphenyl)propanoic acid
CID 130747299
(2S)-2-amino-3-(2-bromophenyl)propanoic acid;hydrochloride
CID 51358157
2-amino-3-(2-methylsulfonylphenyl)propanoic acid
CID 117359904
2-amino-3-(3-chloro-2,4-dimethylphenyl)propanoic acid
CID 84791820
(2S)-2-amino-3-[3-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 139968570
(2R)-2-amino-3-(2-boronophenyl)propanoic acid
CID 131503499

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride?
The IUPAC name of (2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride (CID 162344777) is (2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride is Cc1c(I)cccc1C[C@@H](N)C(=O)O.Cl.
What is the InChIKey of (2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride?
The InChIKey is WEJHMPYGFWWNJC-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H12INO2.ClH/c1-6-7(3-2-4-8(6)11)5-9(12)10(13)14;/h2-4,9H,5,12H2,1H3,(H,13,14);1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride?
(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride has a molecular weight of 341.58 g/mol, XLogP of 1.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 162344777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).