methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate

C15H19FN2O4 — CID 124614909

IUPACmethyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](O)CN1CCC(=O)Nc1ccccc1F
InChIInChI=1S/C15H19FN2O4/c1-22-15(21)13-8-10(19)9-18(13)7-6-14(20)17-12-5-3-2-4-11(12)16/h2-5,10,13,19H,6-9H2,1H3,(H,17,20)/t10-,13+/m0/s1
InChIKeyBUGOMMDERMBRIX-GXFFZTMASA-N
MW310.32 g/mol
LogP0.76
Rot. Bonds5

About methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate

methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate (PubChem CID 124614909) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate
PubChem CID124614909
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Namemethyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1C[C@H](O)CN1CCC(=O)Nc1ccccc1F
InChIInChI=1S/C15H19FN2O4/c1-22-15(21)13-8-10(19)9-18(13)7-6-14(20)17-12-5-3-2-4-11(12)16/h2-5,10,13,19H,6-9H2,1H3,(H,17,20)/t10-,13+/m0/s1
InChIKeyBUGOMMDERMBRIX-GXFFZTMASA-N
XLogP0.76
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate with MolForge

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Related Compounds

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methyl 4-hydroxy-1-(3-methoxy-3-oxopropyl)pyrrolidine-2-carboxylate
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1-[3-(2-fluoroanilino)-3-oxopropyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785896
methyl (2R,4S)-1-[[5-(2,6-difluorophenyl)furan-2-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
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N-(2-fluorophenyl)-3-(4-hydroxy-3-methylpiperidin-1-yl)propanamide
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methyl (2S,4S)-1-[[3-(2-fluorophenyl)-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-hydroxypyrrolidine-2-carboxylate
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methyl 1-[(2-chlorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
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N-(2-fluorophenyl)-3-[2-(hydroxymethyl)pyrrolidin-1-yl]propanamide
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tert-butyl (2S,4R)-2-[(2-fluorophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate?
The IUPAC name of methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate (CID 124614909) is methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate is COC(=O)[C@H]1C[C@H](O)CN1CCC(=O)Nc1ccccc1F.
What is the InChIKey of methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate?
The InChIKey is BUGOMMDERMBRIX-GXFFZTMASA-N. The full InChI is InChI=1S/C15H19FN2O4/c1-22-15(21)13-8-10(19)9-18(13)7-6-14(20)17-12-5-3-2-4-11(12)16/h2-5,10,13,19H,6-9H2,1H3,(H,17,20)/t10-,13+/m0/s1.
What are the key properties of methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate?
methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate has a molecular weight of 310.32 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R,4S)-1-[3-(2-fluoroanilino)-3-oxopropyl]-4-hydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 124614909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).