(2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid

C9H9ClINO2 — CID 131173125

IUPAC(2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1cccc(I)c1Cl
InChIInChI=1S/C9H9ClINO2/c1-9(12,8(13)14)5-3-2-4-6(11)7(5)10/h2-4H,12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeySNRVMBFTNQHIJA-SECBINFHSA-N
MW325.53 g/mol
LogP2.20
Rot. Bonds2

About (2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid

(2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid (PubChem CID 131173125) has the molecular formula C9H9ClINO2 and a molecular weight of 325.53 g/mol. Its IUPAC name is (2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid
PubChem CID131173125
Molecular FormulaC9H9ClINO2
Molecular Weight325.53 g/mol
Exact Mass324.94
IUPAC Name(2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid
SMILESC[C@](N)(C(=O)O)c1cccc(I)c1Cl
InChIInChI=1S/C9H9ClINO2/c1-9(12,8(13)14)5-3-2-4-6(11)7(5)10/h2-4H,12H2,1H3,(H,13,14)/t9-/m1/s1
InChIKeySNRVMBFTNQHIJA-SECBINFHSA-N
XLogP2.20
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.53
LogP ≤ 52.20
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

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CID 130701560
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CID 53255142
(2R)-2-amino-2-(2-ethenylphenyl)propanoic acid
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2-amino-2-[2-(aminomethyl)phenyl]propanoic acid
CID 18975915
(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid
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CID 22023715
2-amino-2-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 130041661
2-amino-3-(2,3-dichlorophenyl)-2-methyl-3-oxopropanoic acid
CID 68607874
2-methyl-2-(2-nitrosophenyl)propanoic acid
CID 130121803
2-amino-2-(2,5-dimethylphenyl)propanoic acid
CID 24695518
(2R)-2-amino-2-(1H-pyrrol-2-yl)propanoic acid
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CID 130650508

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid?
The IUPAC name of (2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid (CID 131173125) is (2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid?
The canonical SMILES for (2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid is C[C@](N)(C(=O)O)c1cccc(I)c1Cl.
What is the InChIKey of (2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid?
The InChIKey is SNRVMBFTNQHIJA-SECBINFHSA-N. The full InChI is InChI=1S/C9H9ClINO2/c1-9(12,8(13)14)5-3-2-4-6(11)7(5)10/h2-4H,12H2,1H3,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid?
(2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid has a molecular weight of 325.53 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid is sourced from PubChem (CID 131173125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).