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

C19H33NO3 — CID 59077112

IUPACtert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate
SMILESC[C@H]1CC[C@@](C)(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C19H33NO3/c1-13-10-11-19(7,18(13,5)6)16(22)20-12-8-9-14(20)15(21)23-17(2,3)4/h13-14H,8-12H2,1-7H3/t13-,14-,19-/m0/s1
InChIKeyRXRYZTPJACWMKU-NJSLBKSFSA-N
MW323.48 g/mol
LogP3.78
Rot. Bonds2

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

tert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate (PubChem CID 59077112) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is tert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate
PubChem CID59077112
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Nametert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate
SMILESC[C@H]1CC[C@@](C)(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)C1(C)C
InChIInChI=1S/C19H33NO3/c1-13-10-11-19(7,18(13,5)6)16(22)20-12-8-9-14(20)15(21)23-17(2,3)4/h13-14H,8-12H2,1-7H3/t13-,14-,19-/m0/s1
InChIKeyRXRYZTPJACWMKU-NJSLBKSFSA-N
XLogP3.78
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate (CID 59077112) is tert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate is C[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)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate?
The InChIKey is RXRYZTPJACWMKU-NJSLBKSFSA-N. The full InChI is InChI=1S/C19H33NO3/c1-13-10-11-19(7,18(13,5)6)16(22)20-12-8-9-14(20)15(21)23-17(2,3)4/h13-14H,8-12H2,1-7H3/t13-,14-,19-/m0/s1.
What are the key properties of tert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate has a molecular weight of 323.48 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-[(1R,3S)-1,2,2,3-tetramethylcyclopentanecarbonyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 59077112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).