tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate

C14H23N3O3 — CID 95973700

IUPACtert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate
SMILESCc1noc([C@@H](C)N2CC[C@H](C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C14H23N3O3/c1-9(12-15-10(2)16-20-12)17-7-6-11(8-17)13(18)19-14(3,4)5/h9,11H,6-8H2,1-5H3/t9-,11+/m1/s1
InChIKeyNVCATJFLQMHUFQ-KOLCDFICSA-N
MW281.36 g/mol
LogP2.10
Rot. Bonds3

About tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate

tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate (PubChem CID 95973700) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate
PubChem CID95973700
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nametert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate
SMILESCc1noc([C@@H](C)N2CC[C@H](C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C14H23N3O3/c1-9(12-15-10(2)16-20-12)17-7-6-11(8-17)13(18)19-14(3,4)5/h9,11H,6-8H2,1-5H3/t9-,11+/m1/s1
InChIKeyNVCATJFLQMHUFQ-KOLCDFICSA-N
XLogP2.10
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate with MolForge

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Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 94064055
N-(cyclopropylmethyl)-1-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidine-3-carboxamide
CID 51081862
[(3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 95299260
[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanol
CID 94087324
tert-butyl N-[1-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]carbamate
CID 60512395
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
2-methoxy-1-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethanone
CID 94161851
1-[(1S)-1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methylpiperidine-4-carboxamide
CID 37258781
tert-butyl N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamate
CID 56770615
tert-butyl 1-[(1S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]piperidine-4-carboxylate
CID 137081941
N-[1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192550
N-[1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]benzamide
CID 35192555

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate?
The IUPAC name of tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate (CID 95973700) is tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate?
The canonical SMILES for tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate is Cc1noc([C@@H](C)N2CC[C@H](C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate?
The InChIKey is NVCATJFLQMHUFQ-KOLCDFICSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-9(12-15-10(2)16-20-12)17-7-6-11(8-17)13(18)19-14(3,4)5/h9,11H,6-8H2,1-5H3/t9-,11+/m1/s1.
What are the key properties of tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate?
tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S)-1-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 95973700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).