(1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate

C22H21NO5 — CID 56799248

IUPAC(1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C(C)OC(=O)C1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C22H21NO5/c1-13(21(25)27-2)28-22(26)16-11-20(24)23(12-16)17-7-8-19-15(10-17)9-14-5-3-4-6-18(14)19/h3-8,10,13,16H,9,11-12H2,1-2H3
InChIKeyHSDLJYNMGIQRGW-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.72
Rot. Bonds4

About (1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate

(1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 56799248) has the molecular formula C22H21NO5 and a molecular weight of 379.41 g/mol. Its IUPAC name is (1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate
PubChem CID56799248
Molecular FormulaC22H21NO5
Molecular Weight379.41 g/mol
Exact Mass379.14
IUPAC Name(1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C(C)OC(=O)C1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1
InChIInChI=1S/C22H21NO5/c1-13(21(25)27-2)28-22(26)16-11-20(24)23(12-16)17-7-8-19-15(10-17)9-14-5-3-4-6-18(14)19/h3-8,10,13,16H,9,11-12H2,1-2H3
InChIKeyHSDLJYNMGIQRGW-UHFFFAOYSA-N
XLogP2.72
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 51616571
1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50879672
(3S)-1-(9H-fluoren-2-yl)-N-[(2S)-1-methoxypropan-2-yl]-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 97196828
1-(9H-fluoren-2-yl)-4-[4-(methylamino)piperidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119562298
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-1-(9H-fluoren-2-yl)pyrrolidin-2-one
CID 120808303
1-(9H-fluoren-2-yl)-4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-one;hydrochloride
CID 119540813
methyl 1-[3-[3-[3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)phenoxy]-1,4-dioxonaphthalen-2-yl]oxyphenyl]-5-oxopyrrolidine-3-carboxylate
CID 86573970
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
[(2R)-1-(4-methylphenyl)-1-oxopropan-2-yl] (3S)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9004026
[(2S)-1-anilino-1-oxopropan-2-yl] (3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 7871288
4-ethenyl-1-(9H-fluoren-2-yl)pyrrolidin-2-one
CID 168685806
[(2S)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] (3R)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8956283

Frequently Asked Questions

What is the IUPAC name of (1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate (CID 56799248) is (1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C(C)OC(=O)C1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1.
What is the InChIKey of (1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is HSDLJYNMGIQRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO5/c1-13(21(25)27-2)28-22(26)16-11-20(24)23(12-16)17-7-8-19-15(10-17)9-14-5-3-4-6-18(14)19/h3-8,10,13,16H,9,11-12H2,1-2H3.
What are the key properties of (1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate?
(1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 379.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxy-1-oxopropan-2-yl) 1-(9H-fluoren-2-yl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 56799248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).