methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate

C14H16FNO4 — CID 43410118

IUPACmethyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H16FNO4/c1-19-12-6-5-9(8-10(12)15)13(17)16-7-3-4-11(16)14(18)20-2/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyLZICCSWHYKFBDP-UHFFFAOYSA-N
MW281.28 g/mol
LogP1.61
Rot. Bonds3

About methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate

methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate (PubChem CID 43410118) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
PubChem CID43410118
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Namemethyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H16FNO4/c1-19-12-6-5-9(8-10(12)15)13(17)16-7-3-4-11(16)14(18)20-2/h5-6,8,11H,3-4,7H2,1-2H3
InChIKeyLZICCSWHYKFBDP-UHFFFAOYSA-N
XLogP1.61
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(3-fluoro-4-methoxybenzoyl)piperidine-2-carboxylic acid
CID 79034351
methyl (2R)-1-(3-iodo-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 1226630
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988
methyl 1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 63188918
(2R)-1-(4-fluoro-3-methoxybenzoyl)pyrrolidine-2-carboxylic acid
CID 81283582
methyl (2S)-1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 22212303
methyl 1-(3-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 531501
(3-fluoro-4-methoxyphenyl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 79546369
[2-(3-aminopropyl)pyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63766326
[2-(chloromethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63394926
methyl (2R)-1-(3-methoxy-4-methylbenzoyl)azetidine-2-carboxylate
CID 68682554
methyl 1-[4-(1-acetylpiperidin-4-yl)oxy-3-methoxybenzoyl]piperidine-2-carboxylate
CID 24790521

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate (CID 43410118) is methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is LZICCSWHYKFBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-19-12-6-5-9(8-10(12)15)13(17)16-7-3-4-11(16)14(18)20-2/h5-6,8,11H,3-4,7H2,1-2H3.
What are the key properties of methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate?
methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 281.28 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).