4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid

C10H13NO7 — CID 175508838

IUPAC4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid
SMILESCOC(=O)C1CC(=O)N(OC(=O)CCC(=O)O)C1
InChIInChI=1S/C10H13NO7/c1-17-10(16)6-4-7(12)11(5-6)18-9(15)3-2-8(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyQMSSWKBBISFVQB-UHFFFAOYSA-N
MW259.21 g/mol
LogP-0.67
Rot. Bonds5

About 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid

4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid (PubChem CID 175508838) has the molecular formula C10H13NO7 and a molecular weight of 259.21 g/mol. Its IUPAC name is 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid
PubChem CID175508838
Molecular FormulaC10H13NO7
Molecular Weight259.21 g/mol
Exact Mass259.07
IUPAC Name4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid
SMILESCOC(=O)C1CC(=O)N(OC(=O)CCC(=O)O)C1
InChIInChI=1S/C10H13NO7/c1-17-10(16)6-4-7(12)11(5-6)18-9(15)3-2-8(13)14/h6H,2-5H2,1H3,(H,13,14)
InChIKeyQMSSWKBBISFVQB-UHFFFAOYSA-N
XLogP-0.67
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168694097
2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid
CID 168692750
methyl (3S)-1-ethyl-5-oxopyrrolidine-3-carboxylate
CID 42579819
methyl 1-(2-methylprop-2-enyl)-5-oxopyrrolidine-3-carboxylate
CID 168693022
3-hydroxy-4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)butanoic acid
CID 168692793
methyl 1-[(2-chlorophenyl)methoxy]-5-oxopyrrolidine-3-carboxylate
CID 23960179
3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid
CID 168692745
methyl (3R)-1-tert-butyl-5-oxopyrrolidine-3-carboxylate
CID 92755216
methyl 1-(3-hydroxy-2,2-dimethylpropyl)-5-oxopyrrolidine-3-carboxylate
CID 168692968
methyl 1-(4,6-dichloro-1,3,5-triazin-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168695406
methyl (3S)-1-[4-[(4R)-4-methoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076246
methyl (3R)-1-butyl-5-oxopyrrolidine-3-carboxylate
CID 94069422

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid?
The IUPAC name of 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid (CID 175508838) is 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid?
The canonical SMILES for 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid is COC(=O)C1CC(=O)N(OC(=O)CCC(=O)O)C1.
What is the InChIKey of 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid?
The InChIKey is QMSSWKBBISFVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO7/c1-17-10(16)6-4-7(12)11(5-6)18-9(15)3-2-8(13)14/h6H,2-5H2,1H3,(H,13,14).
What are the key properties of 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid?
4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid has a molecular weight of 259.21 g/mol, XLogP of -0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid is sourced from PubChem (CID 175508838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).