(3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate

C10H15NO6 — CID 22838342

IUPAC(3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCC(=O)OCC(O)COC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C10H15NO6/c1-6(12)16-4-7(13)5-17-10(15)8-2-3-9(14)11-8/h7-8,13H,2-5H2,1H3,(H,11,14)/t7?,8-/m0/s1
InChIKeyLOEOYFAEZWRPQW-MQWKRIRWSA-N
MW245.23 g/mol
LogP-1.27
Rot. Bonds5

About (3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate

(3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate (PubChem CID 22838342) has the molecular formula C10H15NO6 and a molecular weight of 245.23 g/mol. Its IUPAC name is (3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate
PubChem CID22838342
Molecular FormulaC10H15NO6
Molecular Weight245.23 g/mol
Exact Mass245.09
IUPAC Name(3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate
SMILESCC(=O)OCC(O)COC(=O)[C@@H]1CCC(=O)N1
InChIInChI=1S/C10H15NO6/c1-6(12)16-4-7(13)5-17-10(15)8-2-3-9(14)11-8/h7-8,13H,2-5H2,1H3,(H,11,14)/t7?,8-/m0/s1
InChIKeyLOEOYFAEZWRPQW-MQWKRIRWSA-N
XLogP-1.27
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 5-1.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-hydroxy-3-prop-2-enoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 22838344
(2-hydroxy-3-pentadecoxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate
CID 22838330
[(2S)-5-oxopyrrolidine-2-carbonyl]oxymethyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 66848985
2-methoxyethyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 156790382
ethyl (2S)-5-oxopyrrolidine-2-carboxylate;methyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 159600459
prop-2-enyl 5-oxopyrrolidine-2-carboxylate
CID 14038126
[(2S,3S)-3-hydroxybutan-2-yl] (2S)-5-oxopyrrolidine-2-carboxylate
CID 162899358
prop-2-ynyl (2R)-5-oxopyrrolidine-2-carboxylate
CID 130742388
nonyl (2S)-5-oxopyrrolidine-2-carboxylate;octyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 160824087
tridecyl 5-oxopyrrolidine-2-carboxylate
CID 21282539
decyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22839298
undecyl (2S)-5-oxopyrrolidine-2-carboxylate
CID 22840771

Frequently Asked Questions

What is the IUPAC name of (3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of (3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate (CID 22838342) is (3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for (3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for (3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate is CC(=O)OCC(O)COC(=O)[C@@H]1CCC(=O)N1.
What is the InChIKey of (3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate?
The InChIKey is LOEOYFAEZWRPQW-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H15NO6/c1-6(12)16-4-7(13)5-17-10(15)8-2-3-9(14)11-8/h7-8,13H,2-5H2,1H3,(H,11,14)/t7?,8-/m0/s1.
What are the key properties of (3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate?
(3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate has a molecular weight of 245.23 g/mol, XLogP of -1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetyloxy-2-hydroxypropyl) (2S)-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 22838342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).