3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid

C11H17NO5 — CID 20614645

IUPAC3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid
SMILESCOC(=O)CC1(CCC(=O)O)CCC(=O)N1C
InChIInChI=1S/C11H17NO5/c1-12-8(13)3-5-11(12,6-4-9(14)15)7-10(16)17-2/h3-7H2,1-2H3,(H,14,15)
InChIKeyJGEPCKLWRHXHOX-UHFFFAOYSA-N
MW243.26 g/mol
LogP0.41
Rot. Bonds5

About 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid

3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid (PubChem CID 20614645) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid
PubChem CID20614645
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid
SMILESCOC(=O)CC1(CCC(=O)O)CCC(=O)N1C
InChIInChI=1S/C11H17NO5/c1-12-8(13)3-5-11(12,6-4-9(14)15)7-10(16)17-2/h3-7H2,1-2H3,(H,14,15)
InChIKeyJGEPCKLWRHXHOX-UHFFFAOYSA-N
XLogP0.41
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(Tert-butoxy)carbonyl]-5-azaspiro[3.4]octane-7-carboxylic acid
CID 139022545
3-[(2S)-1-[(tert-butoxy)carbonyl]-2-methylpyrrolidin-2-yl]propanoic acid
CID 137951746
(7S)-7-fluoro-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-7-carboxylic acid
CID 176385849
5-(Tert-butoxycarbonyl)-7-fluoro-5-azaspiro[3.4]octane-7-carboxylic acid
CID 176385936
(7R)-7-fluoro-5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-7-carboxylic acid
CID 176385956
3-Fluoro-1-[4-(oxan-4-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 121909534
5-Oxo-2,2-pyrrolidinedipropanoic acid monomethyl ester
CID 13646943
3-[2-(3-Methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid
CID 20614644
Methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate
CID 20614727
Methyl 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate
CID 20614728
5-Carboethoxyethyl-5-carboxymethyl-2-pyrrolidinone
CID 53718042
5-Carboethoxymethyl-5-carboxyethyl-2-pyrrolidinone
CID 54342832

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid?
The IUPAC name of 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid (CID 20614645) is 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid.
What is the SMILES notation for 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid?
The canonical SMILES for 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid is COC(=O)CC1(CCC(=O)O)CCC(=O)N1C.
What is the InChIKey of 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid?
The InChIKey is JGEPCKLWRHXHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-12-8(13)3-5-11(12,6-4-9(14)15)7-10(16)17-2/h3-7H2,1-2H3,(H,14,15).
What are the key properties of 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid?
3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid has a molecular weight of 243.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-methoxy-2-oxoethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoic acid is sourced from PubChem (CID 20614645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).