tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate

C12H21NO4 — CID 83488081

IUPACtert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate
SMILESCC(O)CC1C(=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-8(14)7-9-10(15)5-6-13(9)11(16)17-12(2,3)4/h8-9,14H,5-7H2,1-4H3
InChIKeyIAUXFRRLBSKNEL-UHFFFAOYSA-N
MW243.30 g/mol
LogP1.34
Rot. Bonds2

About tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate

tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate (PubChem CID 83488081) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate
PubChem CID83488081
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate
SMILESCC(O)CC1C(=O)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-8(14)7-9-10(15)5-6-13(9)11(16)17-12(2,3)4/h8-9,14H,5-7H2,1-4H3
InChIKeyIAUXFRRLBSKNEL-UHFFFAOYSA-N
XLogP1.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2S)-2-ethyl-3-oxopyrrolidine-1-carboxylate
CID 96612564
tert-butyl 2-ethyl-3-oxopyrrolidine-1-carboxylate
CID 82394195
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopyrrolidin-2-yl]acetic acid
CID 82386519
tert-butyl (2S)-3-oxo-2-propan-2-ylpyrrolidine-1-carboxylate
CID 96602470
tert-butyl 3-oxo-2-propan-2-ylpyrrolidine-1-carboxylate
CID 130003184
tert-butyl (2R)-2-[(2S)-2-hydroxypropyl]pyrrolidine-1-carboxylate
CID 72724635
tert-butyl 4-(2-hydroxypropyl)-3-oxopiperidine-1-carboxylate
CID 83488576
tert-butyl 3-oxo-2-phenylpyrrolidine-1-carboxylate
CID 11414318
3-ethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-oxopiperidine-2-carboxylic acid
CID 68510685
tert-butyl 4-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 70116186
tert-butyl (3R)-3-[(1R)-1-hydroxy-2-methylpropyl]-4-oxopiperidine-1-carboxylate
CID 11975533
tert-butyl 3-propan-2-ylidene-2-prop-2-enylpyrrolidine-1-carboxylate
CID 71473269

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate (CID 83488081) is tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate is CC(O)CC1C(=O)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate?
The InChIKey is IAUXFRRLBSKNEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(14)7-9-10(15)5-6-13(9)11(16)17-12(2,3)4/h8-9,14H,5-7H2,1-4H3.
What are the key properties of tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate?
tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate has a molecular weight of 243.30 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-hydroxypropyl)-3-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 83488081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).