(5R)-5-amino-5-(4-iodophenyl)pentanoic acid

C11H14INO2 — CID 28931172

IUPAC(5R)-5-amino-5-(4-iodophenyl)pentanoic acid
SMILESN[C@H](CCCC(=O)O)c1ccc(I)cc1
InChIInChI=1S/C11H14INO2/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7,10H,1-3,13H2,(H,14,15)/t10-/m1/s1
InChIKeyKURQTQGIIQXHOQ-SNVBAGLBSA-N
MW319.14 g/mol
LogP2.55
Rot. Bonds5

About (5R)-5-amino-5-(4-iodophenyl)pentanoic acid

(5R)-5-amino-5-(4-iodophenyl)pentanoic acid (PubChem CID 28931172) has the molecular formula C11H14INO2 and a molecular weight of 319.14 g/mol. Its IUPAC name is (5R)-5-amino-5-(4-iodophenyl)pentanoic acid.

Molecular Properties

Compound Name(5R)-5-amino-5-(4-iodophenyl)pentanoic acid
PubChem CID28931172
Molecular FormulaC11H14INO2
Molecular Weight319.14 g/mol
Exact Mass319.01
IUPAC Name(5R)-5-amino-5-(4-iodophenyl)pentanoic acid
SMILESN[C@H](CCCC(=O)O)c1ccc(I)cc1
InChIInChI=1S/C11H14INO2/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7,10H,1-3,13H2,(H,14,15)/t10-/m1/s1
InChIKeyKURQTQGIIQXHOQ-SNVBAGLBSA-N
XLogP2.55
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.14
LogP ≤ 52.55
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

5-amino-5-(4-propan-2-ylphenyl)pentanoic acid
CID 54908179
(5S)-5-amino-5-[4-(2-methylpropyl)phenyl]pentanoic acid
CID 28931162
(5R)-5-amino-5-(3,4-diethoxyphenyl)pentanoic acid
CID 28931104
(1S)-1-(4-iodophenyl)butane-1,4-diamine;hydrochloride
CID 171222428
(5R)-5-amino-5-thiophen-3-ylpentanoic acid
CID 55264344
5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid
CID 79736889
(5S)-5-amino-5-(5,6,7,8-tetrahydronaphthalen-2-yl)pentanoic acid
CID 28931166
5-amino-5-(1,3-benzodioxol-5-yl)pentanoic acid
CID 82367144
1-(4-iodophenyl)heptan-1-amine
CID 115833109
5-amino-5-(2-methyl-5-propan-2-ylphenyl)pentanoic acid
CID 116937856
(4R)-4-amino-4-(4-tert-butylphenyl)butanoic acid
CID 28744369
(1R)-1-(4-iodophenyl)-4-methylpentan-1-amine
CID 171202898

Frequently Asked Questions

What is the IUPAC name of (5R)-5-amino-5-(4-iodophenyl)pentanoic acid?
The IUPAC name of (5R)-5-amino-5-(4-iodophenyl)pentanoic acid (CID 28931172) is (5R)-5-amino-5-(4-iodophenyl)pentanoic acid.
What is the SMILES notation for (5R)-5-amino-5-(4-iodophenyl)pentanoic acid?
The canonical SMILES for (5R)-5-amino-5-(4-iodophenyl)pentanoic acid is N[C@H](CCCC(=O)O)c1ccc(I)cc1.
What is the InChIKey of (5R)-5-amino-5-(4-iodophenyl)pentanoic acid?
The InChIKey is KURQTQGIIQXHOQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14INO2/c12-9-6-4-8(5-7-9)10(13)2-1-3-11(14)15/h4-7,10H,1-3,13H2,(H,14,15)/t10-/m1/s1.
What are the key properties of (5R)-5-amino-5-(4-iodophenyl)pentanoic acid?
(5R)-5-amino-5-(4-iodophenyl)pentanoic acid has a molecular weight of 319.14 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-amino-5-(4-iodophenyl)pentanoic acid is sourced from PubChem (CID 28931172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).