methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate

C9H16FNO3 — CID 146652870

IUPACmethyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate
SMILESCOCCN1C[C@H](F)C[C@H]1C(=O)OC
InChIInChI=1S/C9H16FNO3/c1-13-4-3-11-6-7(10)5-8(11)9(12)14-2/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyAUFZXEVHSPWLIT-SFYZADRCSA-N
MW205.23 g/mol
LogP0.22
Rot. Bonds4

About methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate

methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate (PubChem CID 146652870) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate
PubChem CID146652870
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Namemethyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate
SMILESCOCCN1C[C@H](F)C[C@H]1C(=O)OC
InChIInChI=1S/C9H16FNO3/c1-13-4-3-11-6-7(10)5-8(11)9(12)14-2/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyAUFZXEVHSPWLIT-SFYZADRCSA-N
XLogP0.22
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate (CID 146652870) is methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate is COCCN1C[C@H](F)C[C@H]1C(=O)OC.
What is the InChIKey of methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate?
The InChIKey is AUFZXEVHSPWLIT-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-13-4-3-11-6-7(10)5-8(11)9(12)14-2/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate?
methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate has a molecular weight of 205.23 g/mol, XLogP of 0.22, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 146652870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).