tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate

C11H19NO5 — CID 74343675

IUPACtert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(O)CO)CC1=O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-7(4-9(12)15)8(14)6-13/h7-8,13-14H,4-6H2,1-3H3
InChIKeyFDFSEVHOSADMSU-UHFFFAOYSA-N
MW245.27 g/mol
LogP0.12
Rot. Bonds2

About tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate

tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate (PubChem CID 74343675) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate
PubChem CID74343675
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Nametert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C(O)CO)CC1=O
InChIInChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-7(4-9(12)15)8(14)6-13/h7-8,13-14H,4-6H2,1-3H3
InChIKeyFDFSEVHOSADMSU-UHFFFAOYSA-N
XLogP0.12
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-cyclopropyl-2-oxopyrrolidine-1-carboxylate
CID 170718438
tert-butyl (5S)-5-ethyl-2,4-dioxopiperidine-1-carboxylate
CID 86307698
tert-butyl 4-(nitromethyl)-2-oxopyrrolidine-1-carboxylate
CID 21301514
tert-butyl 4-(1,3-dioxolan-2-yl)-2-oxopyrrolidine-1-carboxylate
CID 166441567
tert-butyl 4-(1,3-dihydroxypropyl)piperidine-1-carboxylate
CID 22293485
tert-butyl 4-(2-aminophenyl)sulfanyl-2-oxopyrrolidine-1-carboxylate
CID 15642224
tert-butyl (4S)-2-oxo-4-(3,4,5-trifluorophenyl)pyrrolidine-1-carboxylate
CID 140728387
tert-butyl 2,4-dioxo-5-(3,3,3-trifluoropropyl)piperidine-1-carboxylate
CID 25193507
tert-butyl 4-(4-aminophenyl)-2-oxopyrrolidine-1-carboxylate
CID 171624590
tert-butyl 4-(4-fluorophenyl)-2-oxopyrrolidine-1-carboxylate
CID 21350374
tert-butyl (2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
CID 102477716
tert-butyl 2-[4-(1,2-dihydroxyethyl)cyclohexyl]acetate
CID 157377003

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate (CID 74343675) is tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(C(O)CO)CC1=O.
What is the InChIKey of tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate?
The InChIKey is FDFSEVHOSADMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-11(2,3)17-10(16)12-5-7(4-9(12)15)8(14)6-13/h7-8,13-14H,4-6H2,1-3H3.
What are the key properties of tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate?
tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate has a molecular weight of 245.27 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,2-dihydroxyethyl)-2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 74343675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).