(2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid

C8H11N3O4 — CID 67836327

IUPAC(2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C1NC(=O)C(N2CCC[C@H]2C(=O)O)N1
InChIInChI=1S/C8H11N3O4/c12-6-5(9-8(15)10-6)11-3-1-2-4(11)7(13)14/h4-5H,1-3H2,(H,13,14)(H2,9,10,12,15)/t4-,5?/m0/s1
InChIKeyXQQXGVWZMPRQDZ-ROLXFIACSA-N
MW213.19 g/mol
LogP-1.30
Rot. Bonds2

About (2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid

(2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 67836327) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is (2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID67836327
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name(2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESO=C1NC(=O)C(N2CCC[C@H]2C(=O)O)N1
InChIInChI=1S/C8H11N3O4/c12-6-5(9-8(15)10-6)11-3-1-2-4(11)7(13)14/h4-5H,1-3H2,(H,13,14)(H2,9,10,12,15)/t4-,5?/m0/s1
InChIKeyXQQXGVWZMPRQDZ-ROLXFIACSA-N
XLogP-1.30
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 10013514
CID 10013514
CID 11622593
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CID 3079593
CID 3079593
CID 97051
CID 97051
CID 123681
CID 123681
CID 9903507
CID 9903507
CID 44358438
CID 44358438
CID 44368523
CID 44368523
CID 44306009
CID 44306009
CID 439587
CID 439587
CID 44368279
CID 44368279
CID 51389804
CID 51389804

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid (CID 67836327) is (2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid is O=C1NC(=O)C(N2CCC[C@H]2C(=O)O)N1.
What is the InChIKey of (2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is XQQXGVWZMPRQDZ-ROLXFIACSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-6-5(9-8(15)10-6)11-3-1-2-4(11)7(13)14/h4-5H,1-3H2,(H,13,14)(H2,9,10,12,15)/t4-,5?/m0/s1.
What are the key properties of (2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of -1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2,5-dioxoimidazolidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67836327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).