2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid

C11H15NO7 — CID 168692750

IUPAC2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid
SMILESCOC(=O)C1CC(=O)N(C(CCC(=O)O)C(=O)O)C1
InChIInChI=1S/C11H15NO7/c1-19-11(18)6-4-8(13)12(5-6)7(10(16)17)2-3-9(14)15/h6-7H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyABJDEZNJKBNIBG-UHFFFAOYSA-N
MW273.24 g/mol
LogP-0.67
Rot. Bonds6

About 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid

2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid (PubChem CID 168692750) has the molecular formula C11H15NO7 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid.

Molecular Properties

Compound Name2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid
PubChem CID168692750
Molecular FormulaC11H15NO7
Molecular Weight273.24 g/mol
Exact Mass273.08
IUPAC Name2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid
SMILESCOC(=O)C1CC(=O)N(C(CCC(=O)O)C(=O)O)C1
InChIInChI=1S/C11H15NO7/c1-19-11(18)6-4-8(13)12(5-6)7(10(16)17)2-3-9(14)15/h6-7H,2-5H2,1H3,(H,14,15)(H,16,17)
InChIKeyABJDEZNJKBNIBG-UHFFFAOYSA-N
XLogP-0.67
TPSA121.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-3-cyclopropyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692820
5-(diaminomethylideneamino)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanoic acid
CID 168692755
(2S)-3-cyclohexyl-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692821
(2S)-3-(4-hydroxyphenyl)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168692841
methyl 1-(5-methylhexan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692553
(2S)-2-[2-oxo-4-(sulfanylmethyl)pyrrolidin-1-yl]pentanedioic acid
CID 168669478
methyl 1-(1-hydroxybutan-2-yl)-5-oxopyrrolidine-3-carboxylate
CID 168692637
(2R)-2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-2-phenylacetic acid
CID 168692814
3-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)-3-phenylpropanoic acid
CID 168692745
4-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)oxy-4-oxobutanoic acid
CID 175508838
7-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)heptanoic acid
CID 168694097
(2S)-2-(4-carbamoyl-2-oxopyrrolidin-1-yl)-4-methylsulfanylbutanoic acid
CID 168695770

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid?
The IUPAC name of 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid (CID 168692750) is 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid.
What is the SMILES notation for 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid?
The canonical SMILES for 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid is COC(=O)C1CC(=O)N(C(CCC(=O)O)C(=O)O)C1.
What is the InChIKey of 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid?
The InChIKey is ABJDEZNJKBNIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO7/c1-19-11(18)6-4-8(13)12(5-6)7(10(16)17)2-3-9(14)15/h6-7H,2-5H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid?
2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid has a molecular weight of 273.24 g/mol, XLogP of -0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxycarbonyl-2-oxopyrrolidin-1-yl)pentanedioic acid is sourced from PubChem (CID 168692750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).