3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C9H13N3O4 — CID 79029328

IUPAC3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CC[C@H](O)C1
InChIInChI=1S/C9H13N3O4/c13-6-1-2-11(4-6)8(15)5-12-7(14)3-10-9(12)16/h6,13H,1-5H2,(H,10,16)/t6-/m0/s1
InChIKeyOVTPXNQCXJXIHA-LURJTMIESA-N
MW227.22 g/mol
LogP-1.87
Rot. Bonds2

About 3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 79029328) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID79029328
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESO=C(CN1C(=O)CNC1=O)N1CC[C@H](O)C1
InChIInChI=1S/C9H13N3O4/c13-6-1-2-11(4-6)8(15)5-12-7(14)3-10-9(12)16/h6,13H,1-5H2,(H,10,16)/t6-/m0/s1
InChIKeyOVTPXNQCXJXIHA-LURJTMIESA-N
XLogP-1.87
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-1.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 43415749
3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 60624274
3-[2-oxo-2-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 125001259
3-[2-[(3R)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]-5,5-dimethylimidazolidine-2,4-dione
CID 66291672
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60634910
ethyl (3S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]piperidine-3-carboxylate
CID 81338507
3-[1-[2-(2,5-dioxopyrrolidin-1-yl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159717
3-[2-[(3S,4S)-4-(1,3-benzodioxol-5-yl)-3-hydroxypiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 56713225
3-[2-[4-(6-aminopyrimidin-4-yl)-6-hydroxy-1,4-diazepan-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 74238630
3-[2-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 70754418
N-[(3R,4S)-1-[2-(2,5-dioxoimidazolidin-1-yl)acetyl]-4-hydroxypiperidin-3-yl]-3-(4-fluorophenyl)propanamide
CID 154567745
3-[2-oxo-2-(4-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 110103050

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 79029328) is 3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is O=C(CN1C(=O)CNC1=O)N1CC[C@H](O)C1.
What is the InChIKey of 3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is OVTPXNQCXJXIHA-LURJTMIESA-N. The full InChI is InChI=1S/C9H13N3O4/c13-6-1-2-11(4-6)8(15)5-12-7(14)3-10-9(12)16/h6,13H,1-5H2,(H,10,16)/t6-/m0/s1.
What are the key properties of 3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 227.22 g/mol, XLogP of -1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 79029328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).