5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid

C12H10N2O5 — CID 56695595

IUPAC5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc3[nH]c(=O)oc3c2)C1
InChIInChI=1S/C12H10N2O5/c15-10-3-6(11(16)17)5-14(10)7-1-2-8-9(4-7)19-12(18)13-8/h1-2,4,6H,3,5H2,(H,13,18)(H,16,17)
InChIKeyOMVFMEPUPXKGOM-UHFFFAOYSA-N
MW262.22 g/mol
LogP0.56
Rot. Bonds2

About 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid

5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid (PubChem CID 56695595) has the molecular formula C12H10N2O5 and a molecular weight of 262.22 g/mol. Its IUPAC name is 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid
PubChem CID56695595
Molecular FormulaC12H10N2O5
Molecular Weight262.22 g/mol
Exact Mass262.06
IUPAC Name5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(=O)N(c2ccc3[nH]c(=O)oc3c2)C1
InChIInChI=1S/C12H10N2O5/c15-10-3-6(11(16)17)5-14(10)7-1-2-8-9(4-7)19-12(18)13-8/h1-2,4,6H,3,5H2,(H,13,18)(H,16,17)
InChIKeyOMVFMEPUPXKGOM-UHFFFAOYSA-N
XLogP0.56
TPSA103.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrrolidine-3-carboxylic acid
CID 82500720
1-(3,4-dimethoxyphenyl)-5-oxo-N-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxamide
CID 110608206
5-(4-hydroxy-2-oxopyrrolidin-1-yl)-3H-1,3-benzoxazol-2-one
CID 168703375
(3S)-1-dibenzofuran-3-yl-5-oxopyrrolidine-3-carboxylic acid
CID 94077339
(3S)-1-(3,4-difluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2304169
(3R)-1-(2-benzyl-1,3-benzoxazol-6-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 95362132
(3R)-1-[2-(4-fluorophenyl)-1,3-benzoxazol-6-yl]-5-oxopyrrolidine-3-carboxylic acid
CID 95362100
1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50873913
(3S)-1-(4-carboxy-3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076115
(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378519
(3S)-1-(3-amino-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076155
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085

Frequently Asked Questions

What is the IUPAC name of 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid (CID 56695595) is 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(=O)N(c2ccc3[nH]c(=O)oc3c2)C1.
What is the InChIKey of 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is OMVFMEPUPXKGOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O5/c15-10-3-6(11(16)17)5-14(10)7-1-2-8-9(4-7)19-12(18)13-8/h1-2,4,6H,3,5H2,(H,13,18)(H,16,17).
What are the key properties of 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid?
5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 262.22 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1-(2-oxo-3H-1,3-benzoxazol-6-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 56695595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).