tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride

C75H129ClN22O21 — CID 172946791

About tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride

tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 172946791) has the molecular formula C75H129ClN22O21 and a molecular weight of 1710.44 g/mol. Its IUPAC name is tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
• PubChem CID: 172946791
• Molecular Formula: C75H129ClN22O21
• Molecular Weight: 1710.44 g/mol
• Exact Mass: 1708.94
• IUPAC Name: tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC[C@H]1/C(N)=N/O.CC(C)(C)OC(=O)N1CCC[C@H]1C#N.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncon1.CC(C)(C)OC(=O)N1CCC[C@H]1c1nnco1.COC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C.Cl.NO.c1nc([C@@H]2CCCN2)no1.c1nnc([C@@H]2CCCN2)o1
• InChI: InChI=1S/2C11H17N3O3.C11H19NO4.2C10H19N3O3.C10H16N2O2.2C6H9N3O.ClH.H3NO/c1-11(2,3)17-10(15)14-6-4-5-8(14)9-13-12-7-16-9;1-11(2,3)17-10(15)14-6-4-5-8(14)9-12-7-16-13-9;1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4;1-10(2,3)16-9(15)13-6-4-5-7(13)8(14)12-11;1-10(2,3)16-9(14)13-6-4-5-7(13)8(11)12-15;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11;1-2-5(7-3-1)6-9-8-4-10-6;1-2-5(7-3-1)6-8-4-10-9-6;;1-2/h2*7-8H,4-6H2,1-3H3;8H,5-7H2,1-4H3;7H,4-6,11H2,1-3H3,(H,12,14);7,15H,4-6H2,1-3H3,(H2,11,12);8H,4-6H2,1-3H3;2*4-5,7H,1-3H2;1H;2H,1H2/t3*8-;2*7-;8-;2*5-;;/m00000000../s1
• InChIKey: WMRDTCBYZNOYGD-BNMWHVEBSA-N
• XLogP: 10.00
• TPSA: 567.05 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 35
• Rotatable Bonds: 7
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1710.44
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride?

The IUPAC name of tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride (CID 172946791) is tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride.

What is the SMILES notation for tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride?

The canonical SMILES for tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride is CC(C)(C)OC(=O)N1CCC[C@H]1/C(N)=N/O.CC(C)(C)OC(=O)N1CCC[C@H]1C#N.CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN.CC(C)(C)OC(=O)N1CCC[C@H]1c1ncon1.CC(C)(C)OC(=O)N1CCC[C@H]1c1nnco1.COC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C.Cl.NO.c1nc([C@@H]2CCCN2)no1.c1nnc([C@@H]2CCCN2)o1.

What is the InChIKey of tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride?

The InChIKey is WMRDTCBYZNOYGD-BNMWHVEBSA-N. The full InChI is InChI=1S/2C11H17N3O3.C11H19NO4.2C10H19N3O3.C10H16N2O2.2C6H9N3O.ClH.H3NO/c1-11(2,3)17-10(15)14-6-4-5-8(14)9-13-12-7-16-9;1-11(2,3)17-10(15)14-6-4-5-8(14)9-12-7-16-13-9;1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4;1-10(2,3)16-9(15)13-6-4-5-7(13)8(14)12-11;1-10(2,3)16-9(14)13-6-4-5-7(13)8(11)12-15;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11;1-2-5(7-3-1)6-9-8-4-10-6;1-2-5(7-3-1)6-8-4-10-9-6;;1-2/h2*7-8H,4-6H2,1-3H3;8H,5-7H2,1-4H3;7H,4-6,11H2,1-3H3,(H,12,14);7,15H,4-6H2,1-3H3,(H2,11,12);8H,4-6H2,1-3H3;2*4-5,7H,1-3H2;1H;2H,1H2/t3*8-;2*7-;8-;2*5-;;/m00000000../s1.

What are the key properties of tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride?

tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride has a molecular weight of 1710.44 g/mol, XLogP of 10.00, 7 rotatable bonds, 8 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (2S)-2-cyanopyrrolidine-1-carboxylate;tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(Z)-N'-hydroxycarbamimidoyl]pyrrolidine-1-carboxylate;1-O-tert-butyl 2-O-methyl (2S)-pyrrolidine-1,2-dicarboxylate;tert-butyl (2S)-2-(1,2,4-oxadiazol-3-yl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(1,3,4-oxadiazol-2-yl)pyrrolidine-1-carboxylate;hydroxylamine;2-[(2S)-pyrrolidin-2-yl]-1,3,4-oxadiazole;3-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 172946791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).