(4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide

C9H15FN2O3 — CID 155418358

IUPAC(4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
SMILESCN1C[C@H](O)CC1C(=O)NCC(=O)CF
InChIInChI=1S/C9H15FN2O3/c1-12-5-6(13)2-8(12)9(15)11-4-7(14)3-10/h6,8,13H,2-5H2,1H3,(H,11,15)/t6-,8?/m1/s1
InChIKeyCQPPSZQWYKGYRD-XPJFZRNWSA-N
MW218.23 g/mol
LogP-1.29
Rot. Bonds4

About (4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide

(4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide (PubChem CID 155418358) has the molecular formula C9H15FN2O3 and a molecular weight of 218.23 g/mol. Its IUPAC name is (4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
PubChem CID155418358
Molecular FormulaC9H15FN2O3
Molecular Weight218.23 g/mol
Exact Mass218.11
IUPAC Name(4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
SMILESCN1C[C@H](O)CC1C(=O)NCC(=O)CF
InChIInChI=1S/C9H15FN2O3/c1-12-5-6(13)2-8(12)9(15)11-4-7(14)3-10/h6,8,13H,2-5H2,1H3,(H,11,15)/t6-,8?/m1/s1
InChIKeyCQPPSZQWYKGYRD-XPJFZRNWSA-N
XLogP-1.29
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.23
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone
CID 59918461
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
(2S,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid;hydrochloride
CID 118989202
N-(3-fluoro-2-oxopropyl)-1-formylpyrrolidine-2-carboxamide
CID 126680418
2-[[(2S,4R)-1-(2-aminoacetyl)-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 175724370
2-methylpropyl (2S)-4-hydroxy-1-methylpyrrolidine-2-carboxylate
CID 69229435
1-(2-acetamidoethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351292
(2S,4S)-N-[2-(dimethylsulfamoyl)ethyl]-1-methyl-4-sulfanylpyrrolidine-2-carboxamide
CID 59904847
2-[[(2S,4R)-1-[(2S)-2-amino-4-methylpentanoyl]-4-hydroxypyrrolidine-2-carbonyl]amino]acetic acid
CID 175863437
1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351489

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide (CID 155418358) is (4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide is CN1C[C@H](O)CC1C(=O)NCC(=O)CF.
What is the InChIKey of (4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide?
The InChIKey is CQPPSZQWYKGYRD-XPJFZRNWSA-N. The full InChI is InChI=1S/C9H15FN2O3/c1-12-5-6(13)2-8(12)9(15)11-4-7(14)3-10/h6,8,13H,2-5H2,1H3,(H,11,15)/t6-,8?/m1/s1.
What are the key properties of (4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide?
(4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide has a molecular weight of 218.23 g/mol, XLogP of -1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(3-fluoro-2-oxopropyl)-4-hydroxy-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 155418358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).