methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate

C9H13NO5 — CID 10965896

IUPACmethyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C[C@H](OC(C)=O)CC1=O
InChIInChI=1S/C9H13NO5/c1-6(11)15-7-3-8(12)10(4-7)5-9(13)14-2/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeySYKBLLJREOVYRL-SSDOTTSWSA-N
MW215.20 g/mol
LogP-0.68
Rot. Bonds3

About methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate

methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate (PubChem CID 10965896) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate
PubChem CID10965896
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Namemethyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate
SMILESCOC(=O)CN1C[C@H](OC(C)=O)CC1=O
InChIInChI=1S/C9H13NO5/c1-6(11)15-7-3-8(12)10(4-7)5-9(13)14-2/h7H,3-5H2,1-2H3/t7-/m1/s1
InChIKeySYKBLLJREOVYRL-SSDOTTSWSA-N
XLogP-0.68
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(4R)-4-methyl-2-oxopyrrolidin-1-yl]acetate
CID 170372389
methyl 2-[(4R)-4-hydroxy-2-oxopyrrolidin-1-yl]acetate
CID 86316250
[(3R)-1-(cyanomethyl)-5-oxopyrrolidin-3-yl] acetate
CID 86316975
methyl 2-(2-oxo-4-propylpyrrolidin-1-yl)acetate
CID 104511120
methyl 2-[2-oxo-4-(trifluoromethyl)pyrrolidin-1-yl]acetate
CID 175386535
[(3S)-5-oxo-1-[[6-(3-oxobutyl)-1,3-benzodioxol-5-yl]methyl]pyrrolidin-3-yl] acetate
CID 11727731
2-(4-hydroperoxy-2-oxopyrrolidin-1-yl)acetamide
CID 118704578
methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate
CID 168693022
methyl 2-[4-(2,3-dichloro-6-methoxyphenyl)-2-oxopyrrolidin-1-yl]acetate
CID 178128854
ethyl 2-(4-amino-2-oxopyrrolidin-1-yl)acetate
CID 53396184
(1-ethyl-3,4-dihydro-2H-quinolin-3-yl) acetate
CID 174458357
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate?
The IUPAC name of methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate (CID 10965896) is methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate?
The canonical SMILES for methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate is COC(=O)CN1C[C@H](OC(C)=O)CC1=O.
What is the InChIKey of methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate?
The InChIKey is SYKBLLJREOVYRL-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H13NO5/c1-6(11)15-7-3-8(12)10(4-7)5-9(13)14-2/h7H,3-5H2,1-2H3/t7-/m1/s1.
What are the key properties of methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate?
methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate has a molecular weight of 215.20 g/mol, XLogP of -0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4R)-4-acetyloxy-2-oxopyrrolidin-1-yl]acetate is sourced from PubChem (CID 10965896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).