5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid

C12H11N3O4 — CID 82500720

IUPAC5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc3[nH]c(=O)[nH]c3c2)C1
InChIInChI=1S/C12H11N3O4/c16-10-3-6(11(17)18)5-15(10)7-1-2-8-9(4-7)14-12(19)13-8/h1-2,4,6H,3,5H2,(H,17,18)(H2,13,14,19)
InChIKeyDODQPAOTTBQUDG-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.29
Rot. Bonds2

About 5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid

5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 82500720) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is 5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID82500720
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc3[nH]c(=O)[nH]c3c2)C1
InChIInChI=1S/C12H11N3O4/c16-10-3-6(11(17)18)5-15(10)7-1-2-8-9(4-7)14-12(19)13-8/h1-2,4,6H,3,5H2,(H,17,18)(H2,13,14,19)
InChIKeyDODQPAOTTBQUDG-UHFFFAOYSA-N
XLogP0.29
TPSA106.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid
CID 56695595
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169
1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50873913
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
(3S)-1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076115
(3S)-1-(3-amino-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076155
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
(3S)-1-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 776720
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
5-oxo-1-(3-oxo-1,2-dihydroisoindol-5-yl)pyrrolidine-3-carboxylic acid
CID 168692115
5-oxo-1-(1-oxo-3H-2-benzofuran-5-yl)pyrrolidine-3-carboxylic acid
CID 75465472
(3S)-1-(3-amino-4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94075961

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid (CID 82500720) is 5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc3[nH]c(=O)[nH]c3c2)C1.
What is the InChIKey of 5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is DODQPAOTTBQUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O4/c16-10-3-6(11(17)18)5-15(10)7-1-2-8-9(4-7)14-12(19)13-8/h1-2,4,6H,3,5H2,(H,17,18)(H2,13,14,19).
What are the key properties of 5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of 0.29, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82500720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).