tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate

C20H33NO5 — CID 59079974

IUPACtert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@](C)(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C20H33NO5/c1-18(2,3)26-16(23)14-9-8-12-21(14)17(24)20(6)11-10-13(15(22)25-7)19(20,4)5/h13-14H,8-12H2,1-7H3/t13-,14+,20+/m1/s1
InChIKeyKSGAFAZTLUKFBN-CKNLXJGOSA-N
MW367.49 g/mol
LogP2.93
Rot. Bonds3

About tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate

tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate (PubChem CID 59079974) has the molecular formula C20H33NO5 and a molecular weight of 367.49 g/mol. Its IUPAC name is tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate
PubChem CID59079974
Molecular FormulaC20H33NO5
Molecular Weight367.49 g/mol
Exact Mass367.24
IUPAC Nametert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@H]1CC[C@@](C)(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C20H33NO5/c1-18(2,3)26-16(23)14-9-8-12-21(14)17(24)20(6)11-10-13(15(22)25-7)19(20,4)5/h13-14H,8-12H2,1-7H3/t13-,14+,20+/m1/s1
InChIKeyKSGAFAZTLUKFBN-CKNLXJGOSA-N
XLogP2.93
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate (CID 59079974) is tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate is COC(=O)[C@H]1CC[C@@](C)(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)C1(C)C.
What is the InChIKey of tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate?
The InChIKey is KSGAFAZTLUKFBN-CKNLXJGOSA-N. The full InChI is InChI=1S/C20H33NO5/c1-18(2,3)26-16(23)14-9-8-12-21(14)17(24)20(6)11-10-13(15(22)25-7)19(20,4)5/h13-14H,8-12H2,1-7H3/t13-,14+,20+/m1/s1.
What are the key properties of tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate has a molecular weight of 367.49 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-[(1R,3S)-3-methoxycarbonyl-1,2,2-trimethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 59079974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).