methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate

C13H14FNO4 — CID 79881485

IUPACmethyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C13H14FNO4/c1-19-13(18)8-4-5-15(7-8)12(17)10-6-9(14)2-3-11(10)16/h2-3,6,8,16H,4-5,7H2,1H3
InChIKeySCSDECMHDWUBSA-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.17
Rot. Bonds2

About methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate

methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate (PubChem CID 79881485) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate
PubChem CID79881485
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Namemethyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(=O)c2cc(F)ccc2O)C1
InChIInChI=1S/C13H14FNO4/c1-19-13(18)8-4-5-15(7-8)12(17)10-6-9(14)2-3-11(10)16/h2-3,6,8,16H,4-5,7H2,1H3
InChIKeySCSDECMHDWUBSA-UHFFFAOYSA-N
XLogP1.17
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate (CID 79881485) is methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(=O)c2cc(F)ccc2O)C1.
What is the InChIKey of methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate?
The InChIKey is SCSDECMHDWUBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-19-13(18)8-4-5-15(7-8)12(17)10-6-9(14)2-3-11(10)16/h2-3,6,8,16H,4-5,7H2,1H3.
What are the key properties of methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate?
methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate has a molecular weight of 267.26 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5-fluoro-2-hydroxybenzoyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 79881485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).