(2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid

C7H9NO4 — CID 2046821

IUPAC(2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C7H9NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h4H,2-3H2,1H3,(H,11,12)/t4-/m0/s1
InChIKeyDCESWPKOLYIMNH-BYPYZUCNSA-N
MW171.15 g/mol
LogP-0.39
Rot. Bonds2

About (2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid

(2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid (PubChem CID 2046821) has the molecular formula C7H9NO4 and a molecular weight of 171.15 g/mol. Its IUPAC name is (2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
PubChem CID2046821
Molecular FormulaC7H9NO4
Molecular Weight171.15 g/mol
Exact Mass171.05
IUPAC Name(2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid
SMILESC[C@@H](C(=O)O)N1C(=O)CCC1=O
InChIInChI=1S/C7H9NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h4H,2-3H2,1H3,(H,11,12)/t4-/m0/s1
InChIKeyDCESWPKOLYIMNH-BYPYZUCNSA-N
XLogP-0.39
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.15
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-(2-Oxopyrrolidin-1-yl)butanoic acid, (2S)-
CID 11607993
2-(2-Oxopyrrolidin-1-yl)acetic acid
CID 3146687
2,5-Dioxo-1-pyrrolidineacetic acid
CID 96182
2-(2,5-Dioxopyrrolidin-1-yl)propanoic acid
CID 2770225
2-(2-Oxopyrrolidin-1-yl)propanoic acid
CID 3018702
2-(2-Oxopyrrolidin-1-yl)butanoic acid
CID 10464751
2-(2,5-Dioxopyrrolidin-1-yl)butanoic acid
CID 19018226
2-(2,5-Dioxopyrrolidin-1-yl)-3,3-dimethylbutanoic acid
CID 63644827
3-Methyl-2-(2-oxopyrrolidin-1-yl)butanoic acid
CID 18410237
2-(3,3-Dimethyl-2,5-dioxopyrrolidin-1-yl)acetic acid
CID 65298366
2-(2-Oxopyrrolidin-1-yl)butanoic acid, (2R)-
CID 11600747
rac-2-[(3R,4S)-3,4-dimethyl-2,5-dioxopyrrolidin-1-yl]acetic acid
CID 137928820

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid (CID 2046821) is (2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid is C[C@@H](C(=O)O)N1C(=O)CCC1=O.
What is the InChIKey of (2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid?
The InChIKey is DCESWPKOLYIMNH-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H9NO4/c1-4(7(11)12)8-5(9)2-3-6(8)10/h4H,2-3H2,1H3,(H,11,12)/t4-/m0/s1.
What are the key properties of (2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid?
(2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid has a molecular weight of 171.15 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,5-dioxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 2046821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).