3-fluoro-4-methoxypyrrolidine-1-carboxylic acid

C6H10FNO3 — CID 22603705

IUPAC3-fluoro-4-methoxypyrrolidine-1-carboxylic acid
SMILESCOC1CN(C(=O)O)CC1F
InChIInChI=1S/C6H10FNO3/c1-11-5-3-8(6(9)10)2-4(5)7/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyJEBQDBJMVMFRQV-UHFFFAOYSA-N
MW163.15 g/mol
LogP0.33
Rot. Bonds1

About 3-fluoro-4-methoxypyrrolidine-1-carboxylic acid

3-fluoro-4-methoxypyrrolidine-1-carboxylic acid (PubChem CID 22603705) has the molecular formula C6H10FNO3 and a molecular weight of 163.15 g/mol. Its IUPAC name is 3-fluoro-4-methoxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-fluoro-4-methoxypyrrolidine-1-carboxylic acid
PubChem CID22603705
Molecular FormulaC6H10FNO3
Molecular Weight163.15 g/mol
Exact Mass163.06
IUPAC Name3-fluoro-4-methoxypyrrolidine-1-carboxylic acid
SMILESCOC1CN(C(=O)O)CC1F
InChIInChI=1S/C6H10FNO3/c1-11-5-3-8(6(9)10)2-4(5)7/h4-5H,2-3H2,1H3,(H,9,10)
InChIKeyJEBQDBJMVMFRQV-UHFFFAOYSA-N
XLogP0.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-Hydroxypropyl)-5-methyl-2-oxazolidinone
CID 18802
1-Methoxycarbonylpyrrolidin-2-ol
CID 14333526
3-Butyl-5-methyl-1,3-oxazolidin-2-one
CID 13432449
5-Methyl-3-propyl-1,3-oxazolidin-2-one
CID 13547987
3-Hydroxypyrrolidine-1-carboxylic acid
CID 21897771
3-(2-Hydroxyethyl)-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 21801026
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-(2,2-Difluoroethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67255810
5-(2,2-Difluoroethyl)-3-ethyl-1,3-oxazolidin-2-one
CID 67256965
5-(2-Fluoroethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67257248

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxypyrrolidine-1-carboxylic acid?
The IUPAC name of 3-fluoro-4-methoxypyrrolidine-1-carboxylic acid (CID 22603705) is 3-fluoro-4-methoxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-fluoro-4-methoxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-fluoro-4-methoxypyrrolidine-1-carboxylic acid is COC1CN(C(=O)O)CC1F.
What is the InChIKey of 3-fluoro-4-methoxypyrrolidine-1-carboxylic acid?
The InChIKey is JEBQDBJMVMFRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNO3/c1-11-5-3-8(6(9)10)2-4(5)7/h4-5H,2-3H2,1H3,(H,9,10).
What are the key properties of 3-fluoro-4-methoxypyrrolidine-1-carboxylic acid?
3-fluoro-4-methoxypyrrolidine-1-carboxylic acid has a molecular weight of 163.15 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 22603705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).