(2S)-2-amino-3-iodo-3-phenylpropanoic acid

C9H10INO2 — CID 69344520

IUPAC(2S)-2-amino-3-iodo-3-phenylpropanoic acid
SMILESN[C@@H](C(=O)O)C(I)c1ccccc1
InChIInChI=1S/C9H10INO2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H,12,13)/t7?,8-/m1/s1
InChIKeyGQTRZFHBARHFTQ-BRFYHDHCSA-N
MW291.09 g/mol
LogP1.57
Rot. Bonds3

About (2S)-2-amino-3-iodo-3-phenylpropanoic acid

(2S)-2-amino-3-iodo-3-phenylpropanoic acid (PubChem CID 69344520) has the molecular formula C9H10INO2 and a molecular weight of 291.09 g/mol. Its IUPAC name is (2S)-2-amino-3-iodo-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-iodo-3-phenylpropanoic acid
PubChem CID69344520
Molecular FormulaC9H10INO2
Molecular Weight291.09 g/mol
Exact Mass290.98
IUPAC Name(2S)-2-amino-3-iodo-3-phenylpropanoic acid
SMILESN[C@@H](C(=O)O)C(I)c1ccccc1
InChIInChI=1S/C9H10INO2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H,12,13)/t7?,8-/m1/s1
InChIKeyGQTRZFHBARHFTQ-BRFYHDHCSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.09
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-3-hydroxy-3-phenylpropanoic acid
CID 66621998
2-amino-3-chloro-3-phenylpropanoic acid
CID 5001395
(2R,3R)-2-amino-3-fluoro-3-phenylpropanoic acid
CID 23234194
(2S)-2-amino-3,3-diphenylpropanoic acid;carbamic acid
CID 175734272
2-amino-3-nitro-3-phenylpropanoic acid
CID 10954802
(2S)-2-iodo-2-phenylacetic acid
CID 142067651
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
CID 172809734
CID 172809734
(2S,3S)-2-amino-3-phenylpentanedioic acid
CID 907743
2-amino-2-phenylacetic acid;carbamic acid
CID 159174170
sodium;(2S)-2-amino-2-phenylacetic acid;carbanide
CID 175955614

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-iodo-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-iodo-3-phenylpropanoic acid (CID 69344520) is (2S)-2-amino-3-iodo-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-iodo-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-iodo-3-phenylpropanoic acid is N[C@@H](C(=O)O)C(I)c1ccccc1.
What is the InChIKey of (2S)-2-amino-3-iodo-3-phenylpropanoic acid?
The InChIKey is GQTRZFHBARHFTQ-BRFYHDHCSA-N. The full InChI is InChI=1S/C9H10INO2/c10-7(8(11)9(12)13)6-4-2-1-3-5-6/h1-5,7-8H,11H2,(H,12,13)/t7?,8-/m1/s1.
What are the key properties of (2S)-2-amino-3-iodo-3-phenylpropanoic acid?
(2S)-2-amino-3-iodo-3-phenylpropanoic acid has a molecular weight of 291.09 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-iodo-3-phenylpropanoic acid is sourced from PubChem (CID 69344520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).