(3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid

C7H12FNO3 — CID 87453020

IUPAC(3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](OCCF)C1
InChIInChI=1S/C7H12FNO3/c8-2-4-12-6-1-3-9(5-6)7(10)11/h6H,1-5H2,(H,10,11)/t6-/m1/s1
InChIKeyBYZUVUIDVXSGSU-ZCFIWIBFSA-N
MW177.17 g/mol
LogP0.72
Rot. Bonds3

About (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid

(3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid (PubChem CID 87453020) has the molecular formula C7H12FNO3 and a molecular weight of 177.17 g/mol. Its IUPAC name is (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid
PubChem CID87453020
Molecular FormulaC7H12FNO3
Molecular Weight177.17 g/mol
Exact Mass177.08
IUPAC Name(3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CC[C@@H](OCCF)C1
InChIInChI=1S/C7H12FNO3/c8-2-4-12-6-1-3-9(5-6)7(10)11/h6H,1-5H2,(H,10,11)/t6-/m1/s1
InChIKeyBYZUVUIDVXSGSU-ZCFIWIBFSA-N
XLogP0.72
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.17
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methoxycarbonylpyrrolidin-2-ol
CID 14333526
3-Hydroxypyrrolidine-1-carboxylic acid
CID 21897771
3-(2-Hydroxyethyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 21801026
3-Fluoro-4-methoxypyrrolidine-1-carboxylic acid
CID 22603705
3-Fluoro-4-hydroxypyrrolidine-1-carboxylic acid
CID 66781567
(3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid
CID 66803153
3-Ethyl-5-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67255683
5-(2-Fluoroethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67257248
5-(2-Fluoroethyl)-3-(fluoromethyl)-1,3-oxazolidin-2-one
CID 67261780
3-Ethyl-5-(2-fluoroethyl)-1,3-oxazolidin-2-one
CID 67519453
(3S)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylic acid
CID 68276845
(4R)-3-fluoro-4-methoxypyrrolidine-1-carboxylic acid
CID 69884549

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid?
The IUPAC name of (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid (CID 87453020) is (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid is O=C(O)N1CC[C@@H](OCCF)C1.
What is the InChIKey of (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid?
The InChIKey is BYZUVUIDVXSGSU-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12FNO3/c8-2-4-12-6-1-3-9(5-6)7(10)11/h6H,1-5H2,(H,10,11)/t6-/m1/s1.
What are the key properties of (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid?
(3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid has a molecular weight of 177.17 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 87453020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).