(2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid

C13H13I2NO4 — CID 66264253

IUPAC(2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C13H13I2NO4/c14-7-5-8(11(17)9(15)6-7)12(18)16-4-2-1-3-10(16)13(19)20/h5-6,10,17H,1-4H2,(H,19,20)/t10-/m0/s1
InChIKeyUYPRBSQVJYHKDH-JTQLQIEISA-N
MW501.06 g/mol
LogP2.68
Rot. Bonds2

About (2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid

(2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid (PubChem CID 66264253) has the molecular formula C13H13I2NO4 and a molecular weight of 501.06 g/mol. Its IUPAC name is (2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid
PubChem CID66264253
Molecular FormulaC13H13I2NO4
Molecular Weight501.06 g/mol
Exact Mass500.89
IUPAC Name(2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)c1cc(I)cc(I)c1O
InChIInChI=1S/C13H13I2NO4/c14-7-5-8(11(17)9(15)6-7)12(18)16-4-2-1-3-10(16)13(19)20/h5-6,10,17H,1-4H2,(H,19,20)/t10-/m0/s1
InChIKeyUYPRBSQVJYHKDH-JTQLQIEISA-N
XLogP2.68
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.06
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-5-iodobenzoyl)azepane-2-carboxylic acid
CID 107731361
2-[1-(2-hydroxy-3,5-diiodobenzoyl)pyrrolidin-2-yl]acetic acid
CID 63405109
(3R)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-3-carboxylic acid
CID 81119717
(2S)-1-(3,5-dichloro-2-iodobenzoyl)piperidine-2-carboxylic acid
CID 66264568
(2R)-1-(2-chloro-5-hydroxybenzoyl)piperidine-2-carboxylic acid
CID 106500348
(2S)-1-(2,5-dibromothiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 107949313
(2R)-1-(2,5-dimethylthiophene-3-carbonyl)piperidine-2-carboxylic acid
CID 79034345
1-(4-fluoro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 107013626
3-(2-hydroxy-3,5-diiodobenzoyl)-2-methyl-1,3-thiazolidine-4-carboxylic acid
CID 63792827
1-(4-chloro-2-hydroxybenzoyl)azepane-2-carboxylic acid
CID 64559155
(2R)-1-(2,3-dihydroxybenzoyl)pyrrolidine-2-carboxylic acid
CID 104894003
1-(2,5-dimethylbenzoyl)piperidine-2-carboxylic acid
CID 18072995

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid (CID 66264253) is (2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)c1cc(I)cc(I)c1O.
What is the InChIKey of (2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid?
The InChIKey is UYPRBSQVJYHKDH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13I2NO4/c14-7-5-8(11(17)9(15)6-7)12(18)16-4-2-1-3-10(16)13(19)20/h5-6,10,17H,1-4H2,(H,19,20)/t10-/m0/s1.
What are the key properties of (2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid?
(2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid has a molecular weight of 501.06 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-hydroxy-3,5-diiodobenzoyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 66264253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).