(2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid

C5H6FNO3 — CID 55300983

IUPAC(2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1C[C@H](F)[C@@H](C(=O)O)N1
InChIInChI=1S/C5H6FNO3/c6-2-1-3(8)7-4(2)5(9)10/h2,4H,1H2,(H,7,8)(H,9,10)/t2-,4-/m0/s1
InChIKeyKXYURXXMXLCPLR-OKKQSCSOSA-N
MW147.10 g/mol
LogP-0.70
Rot. Bonds1

About (2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid

(2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 55300983) has the molecular formula C5H6FNO3 and a molecular weight of 147.10 g/mol. Its IUPAC name is (2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid
PubChem CID55300983
Molecular FormulaC5H6FNO3
Molecular Weight147.10 g/mol
Exact Mass147.03
IUPAC Name(2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C1C[C@H](F)[C@@H](C(=O)O)N1
InChIInChI=1S/C5H6FNO3/c6-2-1-3(8)7-4(2)5(9)10/h2,4H,1H2,(H,7,8)(H,9,10)/t2-,4-/m0/s1
InChIKeyKXYURXXMXLCPLR-OKKQSCSOSA-N
XLogP-0.70
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.10
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3R)-5-oxo-3-(2,3,4,5,6-pentafluorophenyl)pyrrolidine-2-carboxylic acid
CID 10979324
3-tert-butyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359947
3-cycloheptyl-5-oxopyrrolidine-2-carboxylic acid
CID 105359954
3-methoxycarbonyl-5-oxopyrrolidine-2-carboxylic acid
CID 175573058
4-oxoazetidine-2-carboxylic acid;hydrochloride
CID 162462480
methane;(2S)-4-oxoazetidine-2-carboxylic acid
CID 143306499
N,N,3-trimethyl-5-oxopyrrolidine-2-carboxamide
CID 75094596
5-oxo-3-(oxolan-3-yl)pyrrolidine-2-carboxylic acid
CID 105360004
3-(4-chlorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 72810364
3-(4-bromophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 83665906
3-(3,5-dimethylphenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105360038
3-(2,5-difluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359926

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid (CID 55300983) is (2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid is O=C1C[C@H](F)[C@@H](C(=O)O)N1.
What is the InChIKey of (2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is KXYURXXMXLCPLR-OKKQSCSOSA-N. The full InChI is InChI=1S/C5H6FNO3/c6-2-1-3(8)7-4(2)5(9)10/h2,4H,1H2,(H,7,8)(H,9,10)/t2-,4-/m0/s1.
What are the key properties of (2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid?
(2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 147.10 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-fluoro-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 55300983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).