2-(5-oxopyrrolidin-2-yl)propanedioic acid

C7H9NO5 — CID 130664567

IUPAC2-(5-oxopyrrolidin-2-yl)propanedioic acid
SMILESO=C1CCC(C(C(=O)O)C(=O)O)N1
InChIInChI=1S/C7H9NO5/c9-4-2-1-3(8-4)5(6(10)11)7(12)13/h3,5H,1-2H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyDRPSXXZDOVAZMU-UHFFFAOYSA-N
MW187.15 g/mol
LogP-0.95
Rot. Bonds3

About 2-(5-oxopyrrolidin-2-yl)propanedioic acid

2-(5-oxopyrrolidin-2-yl)propanedioic acid (PubChem CID 130664567) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-(5-oxopyrrolidin-2-yl)propanedioic acid.

Molecular Properties

Compound Name2-(5-oxopyrrolidin-2-yl)propanedioic acid
PubChem CID130664567
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name2-(5-oxopyrrolidin-2-yl)propanedioic acid
SMILESO=C1CCC(C(C(=O)O)C(=O)O)N1
InChIInChI=1S/C7H9NO5/c9-4-2-1-3(8-4)5(6(10)11)7(12)13/h3,5H,1-2H2,(H,8,9)(H,10,11)(H,12,13)
InChIKeyDRPSXXZDOVAZMU-UHFFFAOYSA-N
XLogP-0.95
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 3-oxo-2-(5-oxopyrrolidin-2-yl)butanoate
CID 11830410
5-(1-hydroxyethyl)pyrrolidin-2-one
CID 15129755
[(1S)-1-[(2S)-5-oxopyrrolidin-2-yl]ethyl] acetate
CID 146167866
3-ethyl-2-(5-oxopyrrolidin-2-yl)heptanoic acid
CID 69101715
2-(5-oxopyrrolidin-2-yl)butanamide
CID 90190478
5-(1-bromo-3-oxobutyl)pyrrolidin-2-one
CID 141039551
(2S,7S,12S)-5,10,15,20-tetraoxo-1,6,11,16-tetrazacycloicosane-2,7,12,17-tetracarboxylic acid
CID 177496276
(2S)-5-oxo(2,3,4,5-13C4,115N)azolidine-2-carboxylic acid
CID 76973407
(5R)-5-butan-2-ylpyrrolidin-2-one
CID 167119866
5-but-3-en-2-ylpyrrolidin-2-one
CID 174843717
(5S)-5-[(Z)-2-hydroxyethenyl]pyrrolidin-2-one
CID 142013382
iron;bis((2S)-5-oxopyrrolidine-2-carboxylic acid)
CID 90659612

Frequently Asked Questions

What is the IUPAC name of 2-(5-oxopyrrolidin-2-yl)propanedioic acid?
The IUPAC name of 2-(5-oxopyrrolidin-2-yl)propanedioic acid (CID 130664567) is 2-(5-oxopyrrolidin-2-yl)propanedioic acid.
What is the SMILES notation for 2-(5-oxopyrrolidin-2-yl)propanedioic acid?
The canonical SMILES for 2-(5-oxopyrrolidin-2-yl)propanedioic acid is O=C1CCC(C(C(=O)O)C(=O)O)N1.
What is the InChIKey of 2-(5-oxopyrrolidin-2-yl)propanedioic acid?
The InChIKey is DRPSXXZDOVAZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5/c9-4-2-1-3(8-4)5(6(10)11)7(12)13/h3,5H,1-2H2,(H,8,9)(H,10,11)(H,12,13).
What are the key properties of 2-(5-oxopyrrolidin-2-yl)propanedioic acid?
2-(5-oxopyrrolidin-2-yl)propanedioic acid has a molecular weight of 187.15 g/mol, XLogP of -0.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-oxopyrrolidin-2-yl)propanedioic acid is sourced from PubChem (CID 130664567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).