tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate

C12H19NO3 — CID 170718438

IUPACtert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C2CC2)CC1=O
InChIInChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-9(6-10(13)14)8-4-5-8/h8-9H,4-7H2,1-3H3
InChIKeyTWAGYZKIJWRFSE-UHFFFAOYSA-N
MW225.29 g/mol
LogP2.18
Rot. Bonds1

About tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate

tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate (PubChem CID 170718438) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate
PubChem CID170718438
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Nametert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C2CC2)CC1=O
InChIInChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-9(6-10(13)14)8-4-5-8/h8-9H,4-7H2,1-3H3
InChIKeyTWAGYZKIJWRFSE-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate
CID 166441567
tert-butyl 4-(nitromethyl)-2-oxopyrrolidine-1-carboxylate
CID 21301514
tert-butyl (3aS,7aR)-5-methyl-6-oxo-1,3,3a,4,7,7a-hexahydropyrrolo[3,4-c]pyridine-2-carboxylate
CID 124675485
tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate
CID 74343675
tert-butyl (4R)-4-[(2S,4R)-4-[tert-butyl(dimethyl)silyl]oxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-2-oxopyrrolidine-1-carboxylate
CID 10576852
tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate
CID 86307698
tert-butyl (4S)-2-oxo-4-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxylate
CID 140728387
tert-butyl 4-(4-fluorophenyl)-2-oxopyrrolidine-1-carboxylate
CID 21350374
tert-butyl 4-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate
CID 171624590
tert-butyl (3aR,6S,6aS)-6-bromo-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
CID 101433051
tert-butyl 8-hydroxy-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 58338096
tert-butyl 3-iodo-2-oxopyrrolidine-1-carboxylate
CID 156755217

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate (CID 170718438) is tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C2CC2)CC1=O.
What is the InChIKey of tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate?
The InChIKey is TWAGYZKIJWRFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-9(6-10(13)14)8-4-5-8/h8-9H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate?
tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate has a molecular weight of 225.29 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 170718438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).