(3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

C20H30N2O6 — CID 124679906

IUPAC(3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C20H30N2O6/c1-6-12(2)15(11-23)21-20(25)13-7-18(24)22(10-13)14-8-16(26-3)19(28-5)17(9-14)27-4/h8-9,12-13,15,23H,6-7,10-11H2,1-5H3,(H,21,25)/t12-,13+,15+/m0/s1
InChIKeyVDHRQVYCQVOPFL-GZBFAFLISA-N
MW394.47 g/mol
LogP1.59
Rot. Bonds9

About (3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide

(3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 124679906) has the molecular formula C20H30N2O6 and a molecular weight of 394.47 g/mol. Its IUPAC name is (3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
PubChem CID124679906
Molecular FormulaC20H30N2O6
Molecular Weight394.47 g/mol
Exact Mass394.21
IUPAC Name(3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
SMILESCC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C20H30N2O6/c1-6-12(2)15(11-23)21-20(25)13-7-18(24)22(10-13)14-8-16(26-3)19(28-5)17(9-14)27-4/h8-9,12-13,15,23H,6-7,10-11H2,1-5H3,(H,21,25)/t12-,13+,15+/m0/s1
InChIKeyVDHRQVYCQVOPFL-GZBFAFLISA-N
XLogP1.59
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-oxo-1-(3,4,5-trimethoxyphenyl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]pyrrolidine-3-carboxamide
CID 55709359
2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119348548
N-ethyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 43057493
N-(3-methylbutyl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 55570729
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120650496
N-[2-(methylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120826862
N-[(2R)-2-(ethylamino)propyl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 120650497
N-(1-amino-2,3-dimethylbutan-2-yl)-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 119608369
1-(3,4-dimethoxyphenyl)-5-oxo-N-pentan-3-ylpyrrolidine-3-carboxamide
CID 134060426
N-[3-(aminomethyl)pentan-3-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119571436
methyl 2-methyl-2-[[5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carbonyl]amino]propanoate
CID 55609562
N-benzyl-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide
CID 46585682

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide (CID 124679906) is (3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is CC[C@H](C)[C@@H](CO)NC(=O)[C@@H]1CC(=O)N(c2cc(OC)c(OC)c(OC)c2)C1.
What is the InChIKey of (3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is VDHRQVYCQVOPFL-GZBFAFLISA-N. The full InChI is InChI=1S/C20H30N2O6/c1-6-12(2)15(11-23)21-20(25)13-7-18(24)22(10-13)14-8-16(26-3)19(28-5)17(9-14)27-4/h8-9,12-13,15,23H,6-7,10-11H2,1-5H3,(H,21,25)/t12-,13+,15+/m0/s1.
What are the key properties of (3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide?
(3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-5-oxo-1-(3,4,5-trimethoxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 124679906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).