tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate

C19H30N2O5 — CID 102460213

IUPACtert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CC=CN1C(=O)[C@@H]1CCCN1OC(=O)C(C)(C)C
InChIInChI=1S/C19H30N2O5/c1-18(2,3)17(24)26-21-12-8-9-13(21)15(22)20-11-7-10-14(20)16(23)25-19(4,5)6/h7,11,13-14H,8-10,12H2,1-6H3/t13-,14-/m0/s1
InChIKeyXNCGHAHQWHPQEM-KBPBESRZSA-N
MW366.46 g/mol
LogP2.41
Rot. Bonds3

About tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate

tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate (PubChem CID 102460213) has the molecular formula C19H30N2O5 and a molecular weight of 366.46 g/mol. Its IUPAC name is tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate
PubChem CID102460213
Molecular FormulaC19H30N2O5
Molecular Weight366.46 g/mol
Exact Mass366.22
IUPAC Nametert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1CC=CN1C(=O)[C@@H]1CCCN1OC(=O)C(C)(C)C
InChIInChI=1S/C19H30N2O5/c1-18(2,3)17(24)26-21-12-8-9-13(21)15(22)20-11-7-10-14(20)16(23)25-19(4,5)6/h7,11,13-14H,8-10,12H2,1-6H3/t13-,14-/m0/s1
InChIKeyXNCGHAHQWHPQEM-KBPBESRZSA-N
XLogP2.41
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate (CID 102460213) is tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate is CC(C)(C)OC(=O)[C@@H]1CC=CN1C(=O)[C@@H]1CCCN1OC(=O)C(C)(C)C.
What is the InChIKey of tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate?
The InChIKey is XNCGHAHQWHPQEM-KBPBESRZSA-N. The full InChI is InChI=1S/C19H30N2O5/c1-18(2,3)17(24)26-21-12-8-9-13(21)15(22)20-11-7-10-14(20)16(23)25-19(4,5)6/h7,11,13-14H,8-10,12H2,1-6H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate?
tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-[(2S)-1-(2,2-dimethylpropanoyloxy)pyrrolidine-2-carbonyl]-2,3-dihydropyrrole-2-carboxylate is sourced from PubChem (CID 102460213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).