(2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid

C6H9FN2O4 — CID 123648982

IUPAC(2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid
SMILESN[C@@H]1CN(C(=O)O)[C@H](C(=O)O)[C@H]1F
InChIInChI=1S/C6H9FN2O4/c7-3-2(8)1-9(6(12)13)4(3)5(10)11/h2-4H,1,8H2,(H,10,11)(H,12,13)/t2-,3+,4+/m1/s1
InChIKeyIBDHBQSUQMLRCC-UZBSEBFBSA-N
MW192.15 g/mol
LogP-0.90
Rot. Bonds1

About (2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid

(2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid (PubChem CID 123648982) has the molecular formula C6H9FN2O4 and a molecular weight of 192.15 g/mol. Its IUPAC name is (2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid
PubChem CID123648982
Molecular FormulaC6H9FN2O4
Molecular Weight192.15 g/mol
Exact Mass192.05
IUPAC Name(2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid
SMILESN[C@@H]1CN(C(=O)O)[C@H](C(=O)O)[C@H]1F
InChIInChI=1S/C6H9FN2O4/c7-3-2(8)1-9(6(12)13)4(3)5(10)11/h2-4H,1,8H2,(H,10,11)(H,12,13)/t2-,3+,4+/m1/s1
InChIKeyIBDHBQSUQMLRCC-UZBSEBFBSA-N
XLogP-0.90
TPSA103.86 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.15
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3R,4R)-4-azido-3-fluoropyrrolidine-1,2-dicarboxylic acid
CID 123726334
(2S)-4-fluoro-3-methylpyrrolidine-1,2-dicarboxylic acid
CID 122439706
2-aminoaziridine-1-carboxylic acid
CID 154148433
piperazine-1,2,3,4-tetracarboxylic acid
CID 167313718
(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid
CID 146225287
4,5-difluoropyrrolidine-1,3-dicarboxylic acid
CID 22181540
(3S,4R)-3-amino-2-tert-butyl-4-fluoropyrrolidine-1-carboxylic acid
CID 151158697
(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
(3R,4R)-3,4-diaminopyrrolidine-1-carboxylic acid
CID 134211031
3,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 171373015
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
(3S,4S)-2-tert-butyl-3-fluoro-4-hydroxypiperidine-1-carboxylic acid
CID 118167751

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid (CID 123648982) is (2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid is N[C@@H]1CN(C(=O)O)[C@H](C(=O)O)[C@H]1F.
What is the InChIKey of (2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid?
The InChIKey is IBDHBQSUQMLRCC-UZBSEBFBSA-N. The full InChI is InChI=1S/C6H9FN2O4/c7-3-2(8)1-9(6(12)13)4(3)5(10)11/h2-4H,1,8H2,(H,10,11)(H,12,13)/t2-,3+,4+/m1/s1.
What are the key properties of (2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid?
(2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid has a molecular weight of 192.15 g/mol, XLogP of -0.90, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-4-amino-3-fluoropyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 123648982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).