[(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate

C20H27NO6 — CID 97341482

IUPAC[(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate
SMILESCOc1cc(N2C[C@H](C(=O)O[C@@H]3CC[C@H](C)C3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C20H27NO6/c1-12-5-6-15(7-12)27-20(23)13-8-18(22)21(11-13)14-9-16(24-2)19(26-4)17(10-14)25-3/h9-10,12-13,15H,5-8,11H2,1-4H3/t12-,13+,15+/m0/s1
InChIKeyQUVVHLCFGZCGDY-GZBFAFLISA-N
MW377.44 g/mol
LogP2.80
Rot. Bonds6

About [(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate

[(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate (PubChem CID 97341482) has the molecular formula C20H27NO6 and a molecular weight of 377.44 g/mol. Its IUPAC name is [(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate.

Molecular Properties

Compound Name[(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate
PubChem CID97341482
Molecular FormulaC20H27NO6
Molecular Weight377.44 g/mol
Exact Mass377.18
IUPAC Name[(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate
SMILESCOc1cc(N2C[C@H](C(=O)O[C@@H]3CC[C@H](C)C3)CC2=O)cc(OC)c1OC
InChIInChI=1S/C20H27NO6/c1-12-5-6-15(7-12)27-20(23)13-8-18(22)21(11-13)14-9-16(24-2)19(26-4)17(10-14)25-3/h9-10,12-13,15H,5-8,11H2,1-4H3/t12-,13+,15+/m0/s1
InChIKeyQUVVHLCFGZCGDY-GZBFAFLISA-N
XLogP2.80
TPSA74.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate with MolForge

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Related Compounds

N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-cyclohexyl-N-methyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43056773
4-(4-aminopiperidine-1-carbonyl)-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119376203
2-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]acetic acid
CID 119346110
4-[(3R)-3-aminopyrrolidine-1-carbonyl]-1-(3,4,5-trimethoxyphenyl)pyrrolidin-2-one;hydrochloride
CID 119412742
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359
methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate
CID 55609562
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-(2,4-dioxoimidazolidin-1-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55628616
3-[methyl-[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119362275
(3S)-5-oxo-1-phenyl-N-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 40634799

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate?
The IUPAC name of [(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate (CID 97341482) is [(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate.
What is the SMILES notation for [(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate?
The canonical SMILES for [(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate is COc1cc(N2C[C@H](C(=O)O[C@@H]3CC[C@H](C)C3)CC2=O)cc(OC)c1OC.
What is the InChIKey of [(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate?
The InChIKey is QUVVHLCFGZCGDY-GZBFAFLISA-N. The full InChI is InChI=1S/C20H27NO6/c1-12-5-6-15(7-12)27-20(23)13-8-18(22)21(11-13)14-9-16(24-2)19(26-4)17(10-14)25-3/h9-10,12-13,15H,5-8,11H2,1-4H3/t12-,13+,15+/m0/s1.
What are the key properties of [(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate?
[(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate has a molecular weight of 377.44 g/mol, XLogP of 2.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-methylcyclopentyl] (3R)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxylate is sourced from PubChem (CID 97341482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).