tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one

C27H45N9O9 — CID 159167898

IUPACtert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN.CC(C)(C)OC(=O)N1CCC[C@H]1c1n[nH]c(=O)o1.O=c1[nH]nc([C@@H]2CCCN2)o1
InChIInChI=1S/C11H17N3O4.C10H19N3O3.C6H9N3O2/c1-11(2,3)18-10(16)14-6-4-5-7(14)8-12-13-9(15)17-8;1-10(2,3)16-9(15)13-6-4-5-7(13)8(14)12-11;10-6-9-8-5(11-6)4-2-1-3-7-4/h7H,4-6H2,1-3H3,(H,13,15);7H,4-6,11H2,1-3H3,(H,12,14);4,7H,1-3H2,(H,9,10)/t2*7-;4-/m000/s1
InChIKeyKLHQCVYHWMPROE-SESZPZTISA-N
MW639.71 g/mol
LogP1.60
Rot. Bonds3

About tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one

tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 159167898) has the molecular formula C27H45N9O9 and a molecular weight of 639.71 g/mol. Its IUPAC name is tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Nametert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID159167898
Molecular FormulaC27H45N9O9
Molecular Weight639.71 g/mol
Exact Mass639.33
IUPAC Nametert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN.CC(C)(C)OC(=O)N1CCC[C@H]1c1n[nH]c(=O)o1.O=c1[nH]nc([C@@H]2CCCN2)o1
InChIInChI=1S/C11H17N3O4.C10H19N3O3.C6H9N3O2/c1-11(2,3)18-10(16)14-6-4-5-7(14)8-12-13-9(15)17-8;1-10(2,3)16-9(15)13-6-4-5-7(13)8(14)12-11;10-6-9-8-5(11-6)4-2-1-3-7-4/h7H,4-6H2,1-3H3,(H,13,15);7H,4-6,11H2,1-3H3,(H,12,14);4,7H,1-3H2,(H,9,10)/t2*7-;4-/m000/s1
InChIKeyKLHQCVYHWMPROE-SESZPZTISA-N
XLogP1.60
TPSA244.01 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds3
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500639.71
LogP ≤ 51.60
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one (CID 159167898) is tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one is CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NN.CC(C)(C)OC(=O)N1CCC[C@H]1c1n[nH]c(=O)o1.O=c1[nH]nc([C@@H]2CCCN2)o1.
What is the InChIKey of tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is KLHQCVYHWMPROE-SESZPZTISA-N. The full InChI is InChI=1S/C11H17N3O4.C10H19N3O3.C6H9N3O2/c1-11(2,3)18-10(16)14-6-4-5-7(14)8-12-13-9(15)17-8;1-10(2,3)16-9(15)13-6-4-5-7(13)8(14)12-11;10-6-9-8-5(11-6)4-2-1-3-7-4/h7H,4-6H2,1-3H3,(H,13,15);7H,4-6,11H2,1-3H3,(H,12,14);4,7H,1-3H2,(H,9,10)/t2*7-;4-/m000/s1.
What are the key properties of tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one?
tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 639.71 g/mol, XLogP of 1.60, 3 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(2-oxo-3H-1,3,4-oxadiazol-5-yl)pyrrolidine-1-carboxylate;5-[(2S)-pyrrolidin-2-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 159167898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).