(2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid

C11H17FN2O5 — CID 140600099

IUPAC(2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@@](F)(CN2CCOCC2)CN1C(=O)O
InChIInChI=1S/C11H17FN2O5/c12-11(6-13-1-3-19-4-2-13)5-8(9(15)16)14(7-11)10(17)18/h8H,1-7H2,(H,15,16)(H,17,18)/t8-,11+/m0/s1
InChIKeySMEXWRPRLZNYGA-GZMMTYOYSA-N
MW276.26 g/mol
LogP-0.14
Rot. Bonds3

About (2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid

(2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 140600099) has the molecular formula C11H17FN2O5 and a molecular weight of 276.26 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid
PubChem CID140600099
Molecular FormulaC11H17FN2O5
Molecular Weight276.26 g/mol
Exact Mass276.11
IUPAC Name(2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@@H]1C[C@@](F)(CN2CCOCC2)CN1C(=O)O
InChIInChI=1S/C11H17FN2O5/c12-11(6-13-1-3-19-4-2-13)5-8(9(15)16)14(7-11)10(17)18/h8H,1-7H2,(H,15,16)(H,17,18)/t8-,11+/m0/s1
InChIKeySMEXWRPRLZNYGA-GZMMTYOYSA-N
XLogP-0.14
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-4-hydroxy-4-(hydroxymethyl)pyrrolidine-1,2-dicarboxylic acid
CID 123788900
1-(morpholin-4-ylmethyl)cyclopropane-1-carboxylic acid
CID 68756904
(2S,4S)-4-amino-4-methylpyrrolidine-1,2-dicarboxylic acid
CID 66965454
(2R,4S)-4-aminopyrrolidine-1,2,4-tricarboxylic acid
CID 11644213
2,8-diazaspiro[4.5]decane-2,3,8-tricarboxylic acid
CID 91500214
2-[1-(morpholin-4-ylmethyl)cyclobutyl]acetic acid
CID 81167706
(2S,4R)-4-fluoro-4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 126622881
tert-butyl 4-fluoro-4-(morpholin-4-ylmethyl)piperidine-1-carboxylate
CID 121290195
(2R,4R)-4-hydroxy-1-(2-morpholin-4-ylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 78999377
4-(2-morpholin-4-ylethyl)thiomorpholine-3-carboxylic acid
CID 82906797
2-acetyl-4,4-difluoropyrrolidine-1-carboxylic acid
CID 174189890
[3-fluoro-3-(hydroxymethyl)pyrrolidin-1-yl]-[(2S,5R)-5-(morpholin-4-ylmethyl)oxolan-2-yl]methanone
CID 154781675

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid (CID 140600099) is (2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid is O=C(O)[C@@H]1C[C@@](F)(CN2CCOCC2)CN1C(=O)O.
What is the InChIKey of (2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is SMEXWRPRLZNYGA-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H17FN2O5/c12-11(6-13-1-3-19-4-2-13)5-8(9(15)16)14(7-11)10(17)18/h8H,1-7H2,(H,15,16)(H,17,18)/t8-,11+/m0/s1.
What are the key properties of (2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid?
(2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 276.26 g/mol, XLogP of -0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-4-(morpholin-4-ylmethyl)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 140600099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).