3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid

C8H11NO5 — CID 82397360

IUPAC3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)C(CCO)C(=O)N1
InChIInChI=1S/C8H11NO5/c10-2-1-4-5(8(13)14)3-6(11)9-7(4)12/h4-5,10H,1-3H2,(H,13,14)(H,9,11,12)
InChIKeySWVUDOLRLHORFX-UHFFFAOYSA-N
MW201.18 g/mol
LogP-1.27
Rot. Bonds3

About 3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid

3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid (PubChem CID 82397360) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid
PubChem CID82397360
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Name3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid
SMILESO=C1CC(C(=O)O)C(CCO)C(=O)N1
InChIInChI=1S/C8H11NO5/c10-2-1-4-5(8(13)14)3-6(11)9-7(4)12/h4-5,10H,1-3H2,(H,13,14)(H,9,11,12)
InChIKeySWVUDOLRLHORFX-UHFFFAOYSA-N
XLogP-1.27
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyl)-4-oxoazetidine-2-carboxylic acid
CID 70535367
ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione
CID 118323110
3-[2-(2,5-dioxopyrrolidin-3-yl)ethyl]pyrrolidine-2,5-dione
CID 154234423
3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione
CID 146327361
carbamic acid;3-hydroxypyrrolidine-2,5-dione
CID 67532749
(3R)-2,6-dioxopiperidine-3-carboxylic acid
CID 92974822
(3S)-3-hydroxypyrrolidine-2,5-dione
CID 66575038
3-[(2,5-dioxopyrrolidin-3-yl)disulfanyl]pyrrolidine-2,5-dione;propanoic acid
CID 87423107
2-[tert-butyl-(2,5-dioxopyrrolidin-3-yl)amino]acetic acid
CID 79269635
ethane;3-methylpyrrolidine-2,5-dione;propane
CID 145077035
3-hydroxypyrrolidine-2,5-dione;phosphane
CID 155059355
3-oxocyclobutane-1,2-dicarboxylic acid
CID 135394914

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid?
The IUPAC name of 3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid (CID 82397360) is 3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid.
What is the SMILES notation for 3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid?
The canonical SMILES for 3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid is O=C1CC(C(=O)O)C(CCO)C(=O)N1.
What is the InChIKey of 3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid?
The InChIKey is SWVUDOLRLHORFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c10-2-1-4-5(8(13)14)3-6(11)9-7(4)12/h4-5,10H,1-3H2,(H,13,14)(H,9,11,12).
What are the key properties of 3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid?
3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid has a molecular weight of 201.18 g/mol, XLogP of -1.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-2,6-dioxopiperidine-4-carboxylic acid is sourced from PubChem (CID 82397360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).