(2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid

C9H9ClINO2 — CID 130701560

IUPAC(2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid
SMILESC[C@@](N)(C(=O)O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C9H9ClINO2/c1-9(12,8(13)14)5-2-3-6(10)7(11)4-5/h2-4H,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyWMVKRQHIOXHDBS-VIFPVBQESA-N
MW325.53 g/mol
LogP2.20
Rot. Bonds2

About (2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid

(2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid (PubChem CID 130701560) has the molecular formula C9H9ClINO2 and a molecular weight of 325.53 g/mol. Its IUPAC name is (2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid
PubChem CID130701560
Molecular FormulaC9H9ClINO2
Molecular Weight325.53 g/mol
Exact Mass324.94
IUPAC Name(2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid
SMILESC[C@@](N)(C(=O)O)c1ccc(Cl)c(I)c1
InChIInChI=1S/C9H9ClINO2/c1-9(12,8(13)14)5-2-3-6(10)7(11)4-5/h2-4H,12H2,1H3,(H,13,14)/t9-/m0/s1
InChIKeyWMVKRQHIOXHDBS-VIFPVBQESA-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

(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid
CID 130713709
2-(4-chloro-3-iodophenyl)propan-2-ol
CID 130785423
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823
2-amino-2-(3-fluoro-4-hydroxyphenyl)propanoic acid
CID 55272926
(2R)-2-amino-2-anthracen-2-ylpropanoic acid
CID 100968375
2-amino-2-(4-fluoro-3-methylphenyl)propanoic acid;hydrochloride
CID 82129155
(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 165352758
methyl (2S)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311074
(2R)-2-amino-2-(2-chloro-3-iodophenyl)propanoic acid
CID 131173125
2-amino-2-(4-methoxy-3-methylphenyl)propanoic acid
CID 82098466
2-amino-2-(3,4-dimethoxyphenyl)propanoic acid;hydrochloride
CID 82133157

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid (CID 130701560) is (2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid is C[C@@](N)(C(=O)O)c1ccc(Cl)c(I)c1.
What is the InChIKey of (2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid?
The InChIKey is WMVKRQHIOXHDBS-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9ClINO2/c1-9(12,8(13)14)5-2-3-6(10)7(11)4-5/h2-4H,12H2,1H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid?
(2S)-2-amino-2-(4-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 (2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid is sourced from PubChem (CID 130701560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).