tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate

C18H27N3O5 — CID 11003036

IUPACtert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)[C@@H](c1nc(C2CC2)no1)[C@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H27N3O5/c1-5-24-16(22)13(15-19-14(20-26-15)11-6-7-11)12-8-9-21(10-12)17(23)25-18(2,3)4/h11-13H,5-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyZHJNZBSYQHNDFK-QWHCGFSZSA-N
MW365.43 g/mol
LogP2.85
Rot. Bonds5

About tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate (PubChem CID 11003036) has the molecular formula C18H27N3O5 and a molecular weight of 365.43 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate
PubChem CID11003036
Molecular FormulaC18H27N3O5
Molecular Weight365.43 g/mol
Exact Mass365.20
IUPAC Nametert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate
SMILESCCOC(=O)[C@@H](c1nc(C2CC2)no1)[C@H]1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C18H27N3O5/c1-5-24-16(22)13(15-19-14(20-26-15)11-6-7-11)12-8-9-21(10-12)17(23)25-18(2,3)4/h11-13H,5-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyZHJNZBSYQHNDFK-QWHCGFSZSA-N
XLogP2.85
TPSA94.76 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 4-[(S)-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 139510091
tert-butyl (3S,4S)-4-amino-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate
CID 129494156
tert-butyl 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxylate
CID 90641592
tert-butyl (2S,5R)-4-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]-2,5-diethylpiperazine-1-carboxylate
CID 176819624
tert-butyl (3R)-3-[2-ethoxy-1-(4-methyl-1,3-dioxetan-2-yl)-2-oxoethyl]pyrrolidine-1-carboxylate
CID 67989606
tert-butyl 3-(1-amino-3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 24730216
tert-butyl 4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylate;1-O-tert-butyl 4-O-ethyl piperidine-1,4-dicarboxylate;N'-hydroxycyclopropanecarboximidamide
CID 159134914
tert-butyl 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 55950542
tert-butyl 3-(1-aminononyl)pyrrolidine-1-carboxylate
CID 107092283
tert-butyl 3-(4-amino-1-fluorobutan-2-yl)pyrrolidine-1-carboxylate
CID 115048626
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate (CID 11003036) is tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate is CCOC(=O)[C@@H](c1nc(C2CC2)no1)[C@H]1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate?
The InChIKey is ZHJNZBSYQHNDFK-QWHCGFSZSA-N. The full InChI is InChI=1S/C18H27N3O5/c1-5-24-16(22)13(15-19-14(20-26-15)11-6-7-11)12-8-9-21(10-12)17(23)25-18(2,3)4/h11-13H,5-10H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate has a molecular weight of 365.43 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-ethoxy-2-oxoethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11003036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).