tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate

C12H19NO5 — CID 166441567

IUPACtert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C2OCCO2)CC1=O
InChIInChI=1S/C12H19NO5/c1-12(2,3)18-11(15)13-7-8(6-9(13)14)10-16-4-5-17-10/h8,10H,4-7H2,1-3H3
InChIKeyPQBFJTHUOAVQNP-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.14
Rot. Bonds1

About tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate

tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate (PubChem CID 166441567) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate
PubChem CID166441567
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Nametert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C2OCCO2)CC1=O
InChIInChI=1S/C12H19NO5/c1-12(2,3)18-11(15)13-7-8(6-9(13)14)10-16-4-5-17-10/h8,10H,4-7H2,1-3H3
InChIKeyPQBFJTHUOAVQNP-UHFFFAOYSA-N
XLogP1.14
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl (4S)-2-oxo-4-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxylate
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tert-butyl 4-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate
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tert-butyl 2-[3-(1,3-dioxolan-2-yl)piperidine-1-carbonyl]pyrrolidine-1-carboxylate
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tert-butyl 4-(2-aminophenyl)sulfanyl-2-oxopyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate (CID 166441567) is tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C2OCCO2)CC1=O.
What is the InChIKey of tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate?
The InChIKey is PQBFJTHUOAVQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c1-12(2,3)18-11(15)13-7-8(6-9(13)14)10-16-4-5-17-10/h8,10H,4-7H2,1-3H3.
What are the key properties of tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate?
tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 166441567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).