2-[5-(4-iodophenyl)pentanoylamino]acetic acid

C13H16INO3 — CID 119350131

IUPAC2-[5-(4-iodophenyl)pentanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCCCc1ccc(I)cc1
InChIInChI=1S/C13H16INO3/c14-11-7-5-10(6-8-11)3-1-2-4-12(16)15-9-13(17)18/h5-8H,1-4,9H2,(H,15,16)(H,17,18)
InChIKeyNODZYYRDCQGYOC-UHFFFAOYSA-N
MW361.18 g/mol
LogP2.20
Rot. Bonds7

About 2-[5-(4-iodophenyl)pentanoylamino]acetic acid

2-[5-(4-iodophenyl)pentanoylamino]acetic acid (PubChem CID 119350131) has the molecular formula C13H16INO3 and a molecular weight of 361.18 g/mol. Its IUPAC name is 2-[5-(4-iodophenyl)pentanoylamino]acetic acid.

Molecular Properties

Compound Name2-[5-(4-iodophenyl)pentanoylamino]acetic acid
PubChem CID119350131
Molecular FormulaC13H16INO3
Molecular Weight361.18 g/mol
Exact Mass361.02
IUPAC Name2-[5-(4-iodophenyl)pentanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCCCc1ccc(I)cc1
InChIInChI=1S/C13H16INO3/c14-11-7-5-10(6-8-11)3-1-2-4-12(16)15-9-13(17)18/h5-8H,1-4,9H2,(H,15,16)(H,17,18)
InChIKeyNODZYYRDCQGYOC-UHFFFAOYSA-N
XLogP2.20
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.18
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(4-iodophenyl)pentanamide
CID 119630034
6-(4-iodophenyl)-N-[2-(methylamino)ethyl]hexanamide
CID 119500842
4-(4-iodophenyl)butanoic acid
CID 4645427
2-oxo-3-(6-phenylhexanoylamino)propanoic acid
CID 59565788
4-(4-iodophenyl)-N-methylbutanamide
CID 148600520
2-[[7-(carboxymethylamino)-7-oxoheptanoyl]amino]acetic acid
CID 15168777
2-[3-(4-methylphenyl)propanoylamino]acetic acid
CID 43354539
N-(2-amino-2-oxoethyl)-5-(4-methylphenyl)pentanamide
CID 56784821
methyl 2-(7-phenylheptanoylamino)acetate
CID 44563078
2-[5-(4-iodophenyl)pentanoyl-methylamino]acetic acid
CID 119346304
tert-butyl N-[2-[4-(4-iodophenyl)butanoylamino]ethyl]carbamate
CID 177072985
(2R)-6-[4-(4-iodophenyl)butanoylamino]-2-(methylamino)hexanoic acid
CID 163386296

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-iodophenyl)pentanoylamino]acetic acid?
The IUPAC name of 2-[5-(4-iodophenyl)pentanoylamino]acetic acid (CID 119350131) is 2-[5-(4-iodophenyl)pentanoylamino]acetic acid.
What is the SMILES notation for 2-[5-(4-iodophenyl)pentanoylamino]acetic acid?
The canonical SMILES for 2-[5-(4-iodophenyl)pentanoylamino]acetic acid is O=C(O)CNC(=O)CCCCc1ccc(I)cc1.
What is the InChIKey of 2-[5-(4-iodophenyl)pentanoylamino]acetic acid?
The InChIKey is NODZYYRDCQGYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16INO3/c14-11-7-5-10(6-8-11)3-1-2-4-12(16)15-9-13(17)18/h5-8H,1-4,9H2,(H,15,16)(H,17,18).
What are the key properties of 2-[5-(4-iodophenyl)pentanoylamino]acetic acid?
2-[5-(4-iodophenyl)pentanoylamino]acetic acid has a molecular weight of 361.18 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-iodophenyl)pentanoylamino]acetic acid is sourced from PubChem (CID 119350131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).