(3S)-3-hydroxypyrrolidine-2,5-dione

C4H5NO3 — CID 66575038

IUPAC(3S)-3-hydroxypyrrolidine-2,5-dione
SMILESO=C1C[C@H](O)C(=O)N1
InChIInChI=1S/C4H5NO3/c6-2-1-3(7)5-4(2)8/h2,6H,1H2,(H,5,7,8)/t2-/m0/s1
InChIKeyJDXQWYKOKYUQDN-REOHCLBHSA-N
MW115.09 g/mol
LogP-1.61
Rot. Bonds

About (3S)-3-hydroxypyrrolidine-2,5-dione

(3S)-3-hydroxypyrrolidine-2,5-dione (PubChem CID 66575038) has the molecular formula C4H5NO3 and a molecular weight of 115.09 g/mol. Its IUPAC name is (3S)-3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-hydroxypyrrolidine-2,5-dione
PubChem CID66575038
Molecular FormulaC4H5NO3
Molecular Weight115.09 g/mol
Exact Mass115.03
IUPAC Name(3S)-3-hydroxypyrrolidine-2,5-dione
SMILESO=C1C[C@H](O)C(=O)N1
InChIInChI=1S/C4H5NO3/c6-2-1-3(7)5-4(2)8/h2,6H,1H2,(H,5,7,8)/t2-/m0/s1
InChIKeyJDXQWYKOKYUQDN-REOHCLBHSA-N
XLogP-1.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.09
LogP ≤ 5-1.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxypyrrolidine-2,5-dione;phosphane
CID 155059355
CID 66653042
CID 66653042
ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione
CID 118323110
carbamic acid;3-hydroxypyrrolidine-2,5-dione
CID 67532749
azane;3-hydroxypyrrolidine-2,5-dione;2-methylprop-2-enoic acid
CID 172855490
3-(2-carboxyethoxy)propanoic acid;3-hydroxypyrrolidine-2,5-dione
CID 162174000
1-hydroperoxyperoxydecane;3-hydroxypyrrolidine-2,5-dione
CID 122537613
3-(2,5-dioxopyrrolidine-3-carbonyl)pyrrolidine-2,5-dione
CID 146327361
3,3-diphenylcyclooctyne;3-hydroxypyrrolidine-2,5-dione
CID 175477527
(2R)-2-(2,2-dimethylpropanoylamino)-3-sulfanylpropanoic acid;3-hydroxypyrrolidine-2,5-dione
CID 87404636
3-(hydroxyamino)pyrrolidine-2,5-dione
CID 22569755
3-hydroperoxypyrrolidine-2,5-dione
CID 141263831

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of (3S)-3-hydroxypyrrolidine-2,5-dione (CID 66575038) is (3S)-3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for (3S)-3-hydroxypyrrolidine-2,5-dione is O=C1C[C@H](O)C(=O)N1.
What is the InChIKey of (3S)-3-hydroxypyrrolidine-2,5-dione?
The InChIKey is JDXQWYKOKYUQDN-REOHCLBHSA-N. The full InChI is InChI=1S/C4H5NO3/c6-2-1-3(7)5-4(2)8/h2,6H,1H2,(H,5,7,8)/t2-/m0/s1.
What are the key properties of (3S)-3-hydroxypyrrolidine-2,5-dione?
(3S)-3-hydroxypyrrolidine-2,5-dione has a molecular weight of 115.09 g/mol, XLogP of -1.61, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 66575038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).