(2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid

C5H9IN2O3 — CID 89010502

IUPAC(2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid
SMILES[H]/N=I/[C@@H]1C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C5H9IN2O3/c7-6-4-1-3(9)2-8(4)5(10)11/h3-4,7,9H,1-2H2,(H,10,11)/t3-,4+/m1/s1
InChIKeyTZMWGENWOWLPJJ-DMTCNVIQSA-N
MW272.04 g/mol
LogP0.79
Rot. Bonds1

About (2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid

(2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid (PubChem CID 89010502) has the molecular formula C5H9IN2O3 and a molecular weight of 272.04 g/mol. Its IUPAC name is (2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid
PubChem CID89010502
Molecular FormulaC5H9IN2O3
Molecular Weight272.04 g/mol
Exact Mass271.97
IUPAC Name(2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid
SMILES[H]/N=I/[C@@H]1C[C@@H](O)CN1C(=O)O
InChIInChI=1S/C5H9IN2O3/c7-6-4-1-3(9)2-8(4)5(10)11/h3-4,7,9H,1-2H2,(H,10,11)/t3-,4+/m1/s1
InChIKeyTZMWGENWOWLPJJ-DMTCNVIQSA-N
XLogP0.79
TPSA84.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.04
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-2-formyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 87590455
2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 66605152
(2S,4R)-2-ethynyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 87961970
(2R,4S)-1-carbamoyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 2374396
(2S,4S)-4-hydroxy-2-(methoxymethyl)pyrrolidine-1-carboxylic acid
CID 66670441
(2S,4R)-4-hydroxy-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carboxylic acid
CID 126509727
1-(2,2-dicyclopropylacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 112744938
(2S,4R)-2-(azidomethyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 89466591
1-[(2R,4R)-1-acetyl-4-hydroxypyrrolidin-2-yl]ethanone
CID 58595355
1-(1-acetyl-4-hydroxypyrrolidin-2-yl)ethanone
CID 20687038
(2R,4R)-4-hydroxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 79000770
(2S,4S)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64713362

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid (CID 89010502) is (2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid is [H]/N=I/[C@@H]1C[C@@H](O)CN1C(=O)O.
What is the InChIKey of (2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid?
The InChIKey is TZMWGENWOWLPJJ-DMTCNVIQSA-N. The full InChI is InChI=1S/C5H9IN2O3/c7-6-4-1-3(9)2-8(4)5(10)11/h3-4,7,9H,1-2H2,(H,10,11)/t3-,4+/m1/s1.
What are the key properties of (2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid?
(2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid has a molecular weight of 272.04 g/mol, XLogP of 0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-hydroxy-2-(imino-λ3-iodanyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 89010502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).