(2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid

C10H15FN2O4 — CID 68807590

IUPAC(2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)O)N1CCOCC1
InChIInChI=1S/C10H15FN2O4/c11-7-5-8(13(6-7)10(15)16)9(14)12-1-3-17-4-2-12/h7-8H,1-6H2,(H,15,16)/t7-,8-/m0/s1
InChIKeyUJGDBNWPHXCNRH-YUMQZZPRSA-N
MW246.24 g/mol
LogP-0.06
Rot. Bonds1

About (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid

(2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid (PubChem CID 68807590) has the molecular formula C10H15FN2O4 and a molecular weight of 246.24 g/mol. Its IUPAC name is (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid
PubChem CID68807590
Molecular FormulaC10H15FN2O4
Molecular Weight246.24 g/mol
Exact Mass246.10
IUPAC Name(2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid
SMILESO=C([C@@H]1C[C@H](F)CN1C(=O)O)N1CCOCC1
InChIInChI=1S/C10H15FN2O4/c11-7-5-8(13(6-7)10(15)16)9(14)12-1-3-17-4-2-12/h7-8H,1-6H2,(H,15,16)/t7-,8-/m0/s1
InChIKeyUJGDBNWPHXCNRH-YUMQZZPRSA-N
XLogP-0.06
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid (CID 68807590) is (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid is O=C([C@@H]1C[C@H](F)CN1C(=O)O)N1CCOCC1.
What is the InChIKey of (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid?
The InChIKey is UJGDBNWPHXCNRH-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H15FN2O4/c11-7-5-8(13(6-7)10(15)16)9(14)12-1-3-17-4-2-12/h7-8H,1-6H2,(H,15,16)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid?
(2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid has a molecular weight of 246.24 g/mol, XLogP of -0.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-4-fluoro-2-(morpholine-4-carbonyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68807590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).