(1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate

C11H17NO5 — CID 22839952

IUPAC(1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCCCOC(=O)C(C)OC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H17NO5/c1-3-6-16-10(14)7(2)17-11(15)8-4-5-9(13)12-8/h7-8H,3-6H2,1-2H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyWATZBVVSNNJJHP-MQWKRIRWSA-N
MW243.26 g/mol
LogP0.15
Rot. Bonds5

About (1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate

(1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 22839952) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is (1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID22839952
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name(1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCCCOC(=O)C(C)OC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C11H17NO5/c1-3-6-16-10(14)7(2)17-11(15)8-4-5-9(13)12-8/h7-8H,3-6H2,1-2H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyWATZBVVSNNJJHP-MQWKRIRWSA-N
XLogP0.15
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of (1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate (CID 22839952) is (1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for (1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for (1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate is CCCOC(=O)C(C)OC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is WATZBVVSNNJJHP-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H17NO5/c1-3-6-16-10(14)7(2)17-11(15)8-4-5-9(13)12-8/h7-8H,3-6H2,1-2H3,(H,12,13)/t7?,8-/m0/s1.
What are the key properties of (1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate?
(1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 243.26 g/mol, XLogP of 0.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-oxo-1-propoxypropan-2-yl) (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 22839952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).