2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid

C7H9NO5 — CID 141172437

IUPAC2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid
SMILESCN1C(=O)CC(O)(CC(=O)O)C1=O
InChIInChI=1S/C7H9NO5/c1-8-4(9)2-7(13,6(8)12)3-5(10)11/h13H,2-3H2,1H3,(H,10,11)
InChIKeyQKIZFMXKPVJQOG-UHFFFAOYSA-N
MW187.15 g/mol
LogP-1.42
Rot. Bonds2

About 2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid

2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid (PubChem CID 141172437) has the molecular formula C7H9NO5 and a molecular weight of 187.15 g/mol. Its IUPAC name is 2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid
PubChem CID141172437
Molecular FormulaC7H9NO5
Molecular Weight187.15 g/mol
Exact Mass187.05
IUPAC Name2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid
SMILESCN1C(=O)CC(O)(CC(=O)O)C1=O
InChIInChI=1S/C7H9NO5/c1-8-4(9)2-7(13,6(8)12)3-5(10)11/h13H,2-3H2,1H3,(H,10,11)
InChIKeyQKIZFMXKPVJQOG-UHFFFAOYSA-N
XLogP-1.42
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-1.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(carboxymethyl)-3-hydroxy-2,5-dioxopyrrolidin-1-yl]hexanoic acid
CID 171379695
(3S)-4-(3-amino-1-methyl-2,5-dioxopyrrolidin-3-yl)-3-(methylamino)-4-oxobutanoic acid
CID 90168328
1-methyl-1,3-diazinane-2,4,6-trione;propanedioic acid
CID 158264902
4-ethyl-1,4-dimethylpiperidine-2,6-dione
CID 544425
2-[(2E)-3-(carboxymethyl)-2-ethylidene-3-hydroxy-5-oxopyrrolidin-1-yl]-3-phenylpropanoic acid
CID 163920769
2-(6-hydroxy-5,8-dioxo-1,4-dioxocan-6-yl)acetic acid
CID 118194313
2-[(1R)-1-hydroxy-2-oxocyclohexyl]acetic acid
CID 24879605
CID 102552831
CID 102552831
2-[1-(1-methyl-2-oxo-3H-indol-7-yl)cyclopropyl]acetic acid
CID 117364769
7-methyl-1,4-dithia-7-azaspiro[4.4]nonane-6,8-dione
CID 71600515
2-[(3R)-1-ethyl-3-(2-methylphenyl)-2,5-dioxopyrrolidin-3-yl]acetic acid
CID 125168921
2-[(3R)-1,3-dimethyl-2-oxoindol-3-yl]acetic acid
CID 167685372

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid?
The IUPAC name of 2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid (CID 141172437) is 2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid.
What is the SMILES notation for 2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid?
The canonical SMILES for 2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid is CN1C(=O)CC(O)(CC(=O)O)C1=O.
What is the InChIKey of 2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid?
The InChIKey is QKIZFMXKPVJQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO5/c1-8-4(9)2-7(13,6(8)12)3-5(10)11/h13H,2-3H2,1H3,(H,10,11).
What are the key properties of 2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid?
2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid has a molecular weight of 187.15 g/mol, XLogP of -1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-1-methyl-2,5-dioxopyrrolidin-3-yl)acetic acid is sourced from PubChem (CID 141172437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).