methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate

C9H16FNO3 — CID 165389417

IUPACmethyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(O)N(CCCF)C1
InChIInChI=1S/C9H16FNO3/c1-14-9(13)7-5-8(12)11(6-7)4-2-3-10/h7-8,12H,2-6H2,1H3
InChIKeyYCANKUCUTWGGKN-UHFFFAOYSA-N
MW205.23 g/mol
LogP0.16
Rot. Bonds4

About methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate

methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate (PubChem CID 165389417) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate
PubChem CID165389417
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Namemethyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(O)N(CCCF)C1
InChIInChI=1S/C9H16FNO3/c1-14-9(13)7-5-8(12)11(6-7)4-2-3-10/h7-8,12H,2-6H2,1H3
InChIKeyYCANKUCUTWGGKN-UHFFFAOYSA-N
XLogP0.16
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate (CID 165389417) is methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate is COC(=O)C1CC(O)N(CCCF)C1.
What is the InChIKey of methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate?
The InChIKey is YCANKUCUTWGGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-14-9(13)7-5-8(12)11(6-7)4-2-3-10/h7-8,12H,2-6H2,1H3.
What are the key properties of methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate?
methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate has a molecular weight of 205.23 g/mol, XLogP of 0.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluoropropyl)-5-hydroxypyrrolidine-3-carboxylate is sourced from PubChem (CID 165389417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).