(2R)-2-amino-4-(4-iodophenyl)butanoic acid

C10H12INO2 — CID 172894210

IUPAC(2R)-2-amino-4-(4-iodophenyl)butanoic acid
SMILESN[C@H](CCc1ccc(I)cc1)C(=O)O
InChIInChI=1S/C10H12INO2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,9H,3,6,12H2,(H,13,14)/t9-/m1/s1
InChIKeyVAIMIYCYKPEREB-SECBINFHSA-N
MW305.12 g/mol
LogP1.64
Rot. Bonds4

About (2R)-2-amino-4-(4-iodophenyl)butanoic acid

(2R)-2-amino-4-(4-iodophenyl)butanoic acid (PubChem CID 172894210) has the molecular formula C10H12INO2 and a molecular weight of 305.12 g/mol. Its IUPAC name is (2R)-2-amino-4-(4-iodophenyl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-4-(4-iodophenyl)butanoic acid
PubChem CID172894210
Molecular FormulaC10H12INO2
Molecular Weight305.12 g/mol
Exact Mass304.99
IUPAC Name(2R)-2-amino-4-(4-iodophenyl)butanoic acid
SMILESN[C@H](CCc1ccc(I)cc1)C(=O)O
InChIInChI=1S/C10H12INO2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,9H,3,6,12H2,(H,13,14)/t9-/m1/s1
InChIKeyVAIMIYCYKPEREB-SECBINFHSA-N
XLogP1.64
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.64
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-4-phenylbutanoic acid;bohrium
CID 59366799
(2S)-2-amino-11-(4-iodophenyl)-8-oxoundecanoic acid
CID 159354089
(2S)-2-amino-11-(4-iodophenyl)-8-sulfanylideneundecanoic acid
CID 159354090
(2R)-2-amino-4-(4-methoxyphenyl)butanoic acid
CID 18394844
2-amino-4-(4-butan-2-ylphenyl)butanoic acid
CID 112511842
2-amino-4-[4-(4-hydroxyphenoxy)phenyl]butanoic acid
CID 67114059
2-hydroxy-4-(4-iodophenyl)butanamide
CID 154976499
(2S)-2-amino-4-(4-phosphonooxyphenyl)butanoic acid
CID 163481333
2-amino-4-thiophen-3-ylbutanoic acid
CID 18951372
2-amino-5-(4-fluorophenyl)pentanoic acid
CID 83639572
2-amino-5-(4-bromophenyl)pentanoic acid
CID 83664406
2-amino-4-pyridazin-4-ylbutanoic acid
CID 69404506

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-4-(4-iodophenyl)butanoic acid?
The IUPAC name of (2R)-2-amino-4-(4-iodophenyl)butanoic acid (CID 172894210) is (2R)-2-amino-4-(4-iodophenyl)butanoic acid.
What is the SMILES notation for (2R)-2-amino-4-(4-iodophenyl)butanoic acid?
The canonical SMILES for (2R)-2-amino-4-(4-iodophenyl)butanoic acid is N[C@H](CCc1ccc(I)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-4-(4-iodophenyl)butanoic acid?
The InChIKey is VAIMIYCYKPEREB-SECBINFHSA-N. The full InChI is InChI=1S/C10H12INO2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,9H,3,6,12H2,(H,13,14)/t9-/m1/s1.
What are the key properties of (2R)-2-amino-4-(4-iodophenyl)butanoic acid?
(2R)-2-amino-4-(4-iodophenyl)butanoic acid has a molecular weight of 305.12 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-4-(4-iodophenyl)butanoic acid is sourced from PubChem (CID 172894210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).