tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate

C15H22N2O5 — CID 54697225

IUPACtert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate
SMILESC[C@H]1C(O)=CC(=O)N1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O5/c1-9-11(18)8-12(19)17(9)13(20)10-6-5-7-16(10)14(21)22-15(2,3)4/h8-10,18H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyBRTVWOUXKYXLHB-UWVGGRQHSA-N
MW310.35 g/mol
LogP1.59
Rot. Bonds1

About tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate (PubChem CID 54697225) has the molecular formula C15H22N2O5 and a molecular weight of 310.35 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate
PubChem CID54697225
Molecular FormulaC15H22N2O5
Molecular Weight310.35 g/mol
Exact Mass310.15
IUPAC Nametert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate
SMILESC[C@H]1C(O)=CC(=O)N1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H22N2O5/c1-9-11(18)8-12(19)17(9)13(20)10-6-5-7-16(10)14(21)22-15(2,3)4/h8-10,18H,5-7H2,1-4H3/t9-,10-/m0/s1
InChIKeyBRTVWOUXKYXLHB-UWVGGRQHSA-N
XLogP1.59
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-1-[(2R)-1-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxylic acid
CID 124604992
tert-butyl (2S)-2-(azepane-1-carbonyl)pyrrolidine-1-carboxylate
CID 10469863
tert-butyl (2S)-2-[(4S)-2-oxo-4-phenylmethoxycarbonylazetidine-1-carbonyl]pyrrolidine-1-carboxylate
CID 10787286
tert-butyl 2-(2,2-dimethylpropanoyl)pyrrolidine-1-carboxylate
CID 15309799
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
tert-butyl (2S)-2-carbonofluoridoylpyrrolidine-1-carboxylate
CID 10878587
tert-butyl (2S)-2-[(3aS,6S,6aR)-6-methyl-5-oxo-2,3,3a,4,6,6a-hexahydropyrrolo[3,2-b]pyrrole-1-carbonyl]pyrrolidine-1-carboxylate
CID 11099797
methyl (3S)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate
CID 141158539
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl 2-(2-formylpyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 18699591
1-O-tert-butyl 2-O-methyl pyrrolidine-1,2-dicarboxylate;ethane
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tert-butyl (2R)-2-(C-chloro-N-hydroxycarbonimidoyl)pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate (CID 54697225) is tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate is C[C@H]1C(O)=CC(=O)N1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate?
The InChIKey is BRTVWOUXKYXLHB-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H22N2O5/c1-9-11(18)8-12(19)17(9)13(20)10-6-5-7-16(10)14(21)22-15(2,3)4/h8-10,18H,5-7H2,1-4H3/t9-,10-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2S)-3-hydroxy-2-methyl-5-oxo-2H-pyrrole-1-carbonyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 54697225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).