(2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid

C8H13FINO2 — CID 174165253

IUPAC(2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(CCCI)C[C@H](F)CN1
InChIInChI=1S/C8H13FINO2/c9-6-4-8(7(12)13,11-5-6)2-1-3-10/h6,11H,1-5H2,(H,12,13)/t6-,8-/m0/s1
InChIKeyVDSBDHCRYTUZON-XPUUQOCRSA-N
MW301.10 g/mol
LogP1.36
Rot. Bonds4

About (2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid

(2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid (PubChem CID 174165253) has the molecular formula C8H13FINO2 and a molecular weight of 301.10 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid
PubChem CID174165253
Molecular FormulaC8H13FINO2
Molecular Weight301.10 g/mol
Exact Mass301.00
IUPAC Name(2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(CCCI)C[C@H](F)CN1
InChIInChI=1S/C8H13FINO2/c9-6-4-8(7(12)13,11-5-6)2-1-3-10/h6,11H,1-5H2,(H,12,13)/t6-,8-/m0/s1
InChIKeyVDSBDHCRYTUZON-XPUUQOCRSA-N
XLogP1.36
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.10
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-2-(3-chloropropyl)-4-fluoropyrrolidine-2-carboxylic acid
CID 175793603
methyl (2R,4S)-2-(3-chloropropyl)-4-fluoropyrrolidine-2-carboxylate
CID 165124295
(2S,4R)-4-amino-2-(4-boronobutyl)pyrrolidine-2-carboxylic acid
CID 151845990
(2R,4R)-4-amino-2-(4-boronobutyl)pyrrolidine-2-carboxylic acid
CID 151845994
methyl 2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate
CID 166095872
(4S)-2-(4-boronobutyl)-4-methylpiperidine-2-carboxylic acid
CID 165064850
methyl (2S,4R)-2-[2-(chloromethyl)prop-2-enyl]-4-fluoropyrrolidine-2-carboxylate
CID 172577349
(2R,4R)-4-[[(2S)-2-aminobutanoyl]amino]-2-(4-boronobutyl)pyrrolidine-2-carboxylic acid
CID 148829687
(2R,4R)-4-[[(2S)-2-amino-4-methylpentanoyl]amino]-2-(4-boronobutyl)pyrrolidine-2-carboxylic acid
CID 153335136
4-hydroxy-2-prop-2-enylpyrrolidine-2-carboxylic acid
CID 582594
methyl (2R,4R)-4-fluoro-2-methylpyrrolidine-2-carboxylate
CID 125448955
2-(4-boronobutyl)pyrrolidine-2-carboxylic acid
CID 66832567

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid (CID 174165253) is (2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@]1(CCCI)C[C@H](F)CN1.
What is the InChIKey of (2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VDSBDHCRYTUZON-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H13FINO2/c9-6-4-8(7(12)13,11-5-6)2-1-3-10/h6,11H,1-5H2,(H,12,13)/t6-,8-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid?
(2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid has a molecular weight of 301.10 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-(3-iodopropyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 174165253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).