(2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid

C8H11N3O4 — CID 68648470

IUPAC(2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid
SMILESO=C1NC(=O)[C@@H]([C@H]2CCCN2C(=O)O)N1
InChIInChI=1S/C8H11N3O4/c12-6-5(9-7(13)10-6)4-2-1-3-11(4)8(14)15/h4-5H,1-3H2,(H,14,15)(H2,9,10,12,13)/t4-,5-/m1/s1
InChIKeyFWFVANAHPQFBLI-RFZPGFLSSA-N
MW213.19 g/mol
LogP-0.66
Rot. Bonds1

About (2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid

(2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid (PubChem CID 68648470) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is (2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid
PubChem CID68648470
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name(2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid
SMILESO=C1NC(=O)[C@@H]([C@H]2CCCN2C(=O)O)N1
InChIInChI=1S/C8H11N3O4/c12-6-5(9-7(13)10-6)4-2-1-3-11(4)8(14)15/h4-5H,1-3H2,(H,14,15)(H2,9,10,12,13)/t4-,5-/m1/s1
InChIKeyFWFVANAHPQFBLI-RFZPGFLSSA-N
XLogP-0.66
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-piperidin-4-ylpyrrolidine-1-carboxylic acid
CID 134348850
2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylic acid
CID 22633033
(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrole-1-carboxylic acid
CID 70398798
(4aS,8aS)-3,4,4a,5,8,8a-hexahydro-2H-dithiino[4,5-b]pyridine-1-carboxylic acid
CID 172767635
4,5,7,9-tetrahydro-3H-purine-2,6,8-trione
CID 15773209
2-fluoropyrrolidine-1-carboxylic acid
CID 23110189
3-amino-2-(4-fluorophenyl)piperidine-1-carboxylic acid
CID 138597714
1-(3,5-dioxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 66062800
2-[(2S,3S)-3-(4-fluorophenyl)oxiran-2-yl]pyrrolidine-1-carboxylic acid
CID 155434176
6-ethyl-6-hydroxy-3,4,4a,5,7,7a-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylic acid
CID 70906727
(2S)-3-hydroxy-2-methylpiperidine-1-carboxylic acid
CID 67727161
(6S)-6-[(2S)-2-(trifluoromethyl)pyrrolidine-1-carbonyl]-1,3-diazinane-2,4-dione
CID 138016793

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid (CID 68648470) is (2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid is O=C1NC(=O)[C@@H]([C@H]2CCCN2C(=O)O)N1.
What is the InChIKey of (2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is FWFVANAHPQFBLI-RFZPGFLSSA-N. The full InChI is InChI=1S/C8H11N3O4/c12-6-5(9-7(13)10-6)4-2-1-3-11(4)8(14)15/h4-5H,1-3H2,(H,14,15)(H2,9,10,12,13)/t4-,5-/m1/s1.
What are the key properties of (2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid?
(2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-2,5-dioxoimidazolidin-4-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68648470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).