4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid

C8H12FNO5 — CID 139666877

IUPAC4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)C1CC(OCCF)CN1C(=O)O
InChIInChI=1S/C8H12FNO5/c9-1-2-15-5-3-6(7(11)12)10(4-5)8(13)14/h5-6H,1-4H2,(H,11,12)(H,13,14)
InChIKeyFWPDYKWZOADWSQ-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.18
Rot. Bonds4

About 4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid

4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid (PubChem CID 139666877) has the molecular formula C8H12FNO5 and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid
PubChem CID139666877
Molecular FormulaC8H12FNO5
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)C1CC(OCCF)CN1C(=O)O
InChIInChI=1S/C8H12FNO5/c9-1-2-15-5-3-6(7(11)12)10(4-5)8(13)14/h5-6H,1-4H2,(H,11,12)(H,13,14)
InChIKeyFWPDYKWZOADWSQ-UHFFFAOYSA-N
XLogP0.18
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R)-4-prop-2-ynoxypyrrolidine-1,2-dicarboxylic acid
CID 118383825
(2S,4R)-1-acetyl-4-propoxypyrrolidine-2-carboxylic acid
CID 12849539
3-(2-fluoroethoxy)azetidine-1-carboxylic acid
CID 142766696
(2S,4R)-1-(2-aminoacetyl)-4-prop-2-enoxypyrrolidine-2-carboxylic acid
CID 138750394
4-[(3-bromophenyl)methoxy]pyrrolidine-1,2-dicarboxylic acid
CID 154928693
(2S,4S)-pyrrolidine-1,2,4-tricarboxylic acid
CID 57440863
(2S,4S)-4-ethoxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 15222300
4-(quinolin-8-ylmethoxy)pyrrolidine-1,2-dicarboxylic acid
CID 148566227
(2R)-4-(difluoromethyl)pyrrolidine-1,2-dicarboxylic acid
CID 175571168
(2S,4S)-4-cyanopyrrolidine-1,2-dicarboxylic acid
CID 91519767
(2R,4S)-4-methoxy-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 93310397
(2S,4R)-4-methoxy-2-methoxycarbonylpyrrolidine-1-carboxylic acid
CID 154005523

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of 4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid (CID 139666877) is 4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for 4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for 4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid is O=C(O)C1CC(OCCF)CN1C(=O)O.
What is the InChIKey of 4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid?
The InChIKey is FWPDYKWZOADWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO5/c9-1-2-15-5-3-6(7(11)12)10(4-5)8(13)14/h5-6H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid?
4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid has a molecular weight of 221.18 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethoxy)pyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 139666877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).