tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate

C15H24N2O3 — CID 118457427

IUPACtert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC=C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-5-10-9-11(10)16-13(18)12-7-6-8-17(12)14(19)20-15(2,3)4/h5,10-12H,1,6-9H2,2-4H3,(H,16,18)/t10-,11-,12+/m1/s1
InChIKeyPHZXQKLUVPEZTD-UTUOFQBUSA-N
MW280.37 g/mol
LogP2.08
Rot. Bonds3

About tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 118457427) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID118457427
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nametert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC=C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H24N2O3/c1-5-10-9-11(10)16-13(18)12-7-6-8-17(12)14(19)20-15(2,3)4/h5,10-12H,1,6-9H2,2-4H3,(H,16,18)/t10-,11-,12+/m1/s1
InChIKeyPHZXQKLUVPEZTD-UTUOFQBUSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate (CID 118457427) is tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate is C=C[C@@H]1C[C@H]1NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is PHZXQKLUVPEZTD-UTUOFQBUSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-10-9-11(10)16-13(18)12-7-6-8-17(12)14(19)20-15(2,3)4/h5,10-12H,1,6-9H2,2-4H3,(H,16,18)/t10-,11-,12+/m1/s1.
What are the key properties of tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[(1R,2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 118457427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).