tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate

C19H33NO3 — CID 178086712

IUPACtert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](C1CCCC1)N1CCC[C@@H]1[C@@H]1CCCO1
InChIInChI=1S/C19H33NO3/c1-19(2,3)23-18(21)17(14-8-4-5-9-14)20-12-6-10-15(20)16-11-7-13-22-16/h14-17H,4-13H2,1-3H3/t15-,16+,17+/m1/s1
InChIKeyJHFDYEXSBKOJCM-IKGGRYGDSA-N
MW323.48 g/mol
LogP3.53
Rot. Bonds4

About tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate

tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate (PubChem CID 178086712) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate
PubChem CID178086712
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Nametert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate
SMILESCC(C)(C)OC(=O)[C@H](C1CCCC1)N1CCC[C@@H]1[C@@H]1CCCO1
InChIInChI=1S/C19H33NO3/c1-19(2,3)23-18(21)17(14-8-4-5-9-14)20-12-6-10-15(20)16-11-7-13-22-16/h14-17H,4-13H2,1-3H3/t15-,16+,17+/m1/s1
InChIKeyJHFDYEXSBKOJCM-IKGGRYGDSA-N
XLogP3.53
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate with MolForge

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Related Compounds

(3R,5R)-3-methyl-5-[4-[(2R)-2-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]pyrrolidin-1-yl]butyl]oxolan-2-one
CID 101518052
(3R,5R)-3-methyl-5-[4-[(2R)-2-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]pyrrolidin-1-yl]butyl]oxolan-2-one
CID 101518053
L-Proline, N-(cyclopentylcarbonyl)-, undecyl ester
CID 91695487
L-Proline, N-(3-cyclopentylpropionyl)-, hexyl ester
CID 91695551
L-Proline, N-(3-cyclopentylpropionyl)-, heptyl ester
CID 91695552
L-Proline, N-(3-cyclopentylpropionyl)-, nonyl ester
CID 91695553
L-Proline, N-(3-cyclopentylpropionyl)-, decyl ester
CID 91695554
L-Proline, N-(3-cyclopentylpropionyl)-, undecyl ester
CID 91695555
L-Proline, N-(3-cyclopentylpropionyl)-, dodecyl ester
CID 91695556
L-Proline, N-(3-cyclopentylpropionyl)-, tetradecyl ester
CID 91695557
L-Proline, N-(3-cyclopentylpropionyl)-, pentadecyl ester
CID 91695558
L-Proline, N-(3-cyclopentylpropionyl)-, hexadecyl ester
CID 91695559

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate?
The IUPAC name of tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate (CID 178086712) is tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate.
What is the SMILES notation for tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate?
The canonical SMILES for tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate is CC(C)(C)OC(=O)[C@H](C1CCCC1)N1CCC[C@@H]1[C@@H]1CCCO1.
What is the InChIKey of tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate?
The InChIKey is JHFDYEXSBKOJCM-IKGGRYGDSA-N. The full InChI is InChI=1S/C19H33NO3/c1-19(2,3)23-18(21)17(14-8-4-5-9-14)20-12-6-10-15(20)16-11-7-13-22-16/h14-17H,4-13H2,1-3H3/t15-,16+,17+/m1/s1.
What are the key properties of tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate?
tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate has a molecular weight of 323.48 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate is sourced from PubChem (CID 178086712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).