(2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate

C5H5FNO3- — CID 7195109

IUPAC(2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate
SMILESO=C1N[C@H](C(=O)[O-])C[C@H]1F
InChIInChI=1S/C5H6FNO3/c6-2-1-3(5(9)10)7-4(2)8/h2-3H,1H2,(H,7,8)(H,9,10)/p-1/t2-,3+/m1/s1
InChIKeyNBTWBMODBIAMTC-GBXIJSLDSA-M
MW146.10 g/mol
LogP-2.04
Rot. Bonds1

About (2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate

(2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate (PubChem CID 7195109) has the molecular formula C5H5FNO3- and a molecular weight of 146.10 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate
PubChem CID7195109
Molecular FormulaC5H5FNO3-
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name(2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate
SMILESO=C1N[C@H](C(=O)[O-])C[C@H]1F
InChIInChI=1S/C5H6FNO3/c6-2-1-3(5(9)10)7-4(2)8/h2-3H,1H2,(H,7,8)(H,9,10)/p-1/t2-,3+/m1/s1
InChIKeyNBTWBMODBIAMTC-GBXIJSLDSA-M
XLogP-2.04
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 5-2.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of (2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate (CID 7195109) is (2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for (2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for (2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate is O=C1N[C@H](C(=O)[O-])C[C@H]1F.
What is the InChIKey of (2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate?
The InChIKey is NBTWBMODBIAMTC-GBXIJSLDSA-M. The full InChI is InChI=1S/C5H6FNO3/c6-2-1-3(5(9)10)7-4(2)8/h2-3H,1H2,(H,7,8)(H,9,10)/p-1/t2-,3+/m1/s1.
What are the key properties of (2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate?
(2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate has a molecular weight of 146.10 g/mol, XLogP of -2.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 7195109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).