2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid

C11H12N2O3S — CID 82376398

IUPAC2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid
SMILESO=C(O)c1scc2c1NC(=O)C1(CCCC1)N2
InChIInChI=1S/C11H12N2O3S/c14-9(15)8-7-6(5-17-8)13-11(10(16)12-7)3-1-2-4-11/h5,13H,1-4H2,(H,12,16)(H,14,15)
InChIKeyHKCSWAHAPPLUFX-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.12
Rot. Bonds1

About 2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid

2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid (PubChem CID 82376398) has the molecular formula C11H12N2O3S and a molecular weight of 252.29 g/mol. Its IUPAC name is 2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid.

Molecular Properties

Compound Name2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid
PubChem CID82376398
Molecular FormulaC11H12N2O3S
Molecular Weight252.29 g/mol
Exact Mass252.06
IUPAC Name2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid
SMILESO=C(O)c1scc2c1NC(=O)C1(CCCC1)N2
InChIInChI=1S/C11H12N2O3S/c14-9(15)8-7-6(5-17-8)13-11(10(16)12-7)3-1-2-4-11/h5,13H,1-4H2,(H,12,16)(H,14,15)
InChIKeyHKCSWAHAPPLUFX-UHFFFAOYSA-N
XLogP2.12
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxospiro[1,4-dihydroquinoxaline-2,1'-cycloheptane]-5-carboxylic acid
CID 115544027
3-oxospiro[4H-thieno[3,4-b][1,4]thiazine-2,1'-cyclopropane]-7-carboxylic acid
CID 82376411
3-oxospiro[1,4-dihydroquinoxaline-2,1'-cyclobutane]-6-carboxylic acid
CID 81167355
2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclobutane]-6-carboxylic acid
CID 82791107
spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid
CID 82376580
8-chlorospiro[1,4-dihydroquinoxaline-3,1'-cycloheptane]-2-one
CID 104839626
spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 12886753
spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclohexane]-5-carboxylic acid
CID 82376578
3-[(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)methyl]thiophene-2-carboxylic acid
CID 63639685
2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclopropane]-5-carboxylic acid
CID 112577491
6-methyl-2-oxospiro[1,4-dihydropyrrolo[3,4-b]pyrazine-3,1'-cyclohexane]-7-carbaldehyde
CID 82375769
4-oxo-2,3-dihydro-1H-thieno[3,4-b]pyridine-7-carboxylic acid
CID 112545369

Frequently Asked Questions

What is the IUPAC name of 2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid?
The IUPAC name of 2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid (CID 82376398) is 2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid.
What is the SMILES notation for 2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid?
The canonical SMILES for 2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid is O=C(O)c1scc2c1NC(=O)C1(CCCC1)N2.
What is the InChIKey of 2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid?
The InChIKey is HKCSWAHAPPLUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3S/c14-9(15)8-7-6(5-17-8)13-11(10(16)12-7)3-1-2-4-11/h5,13H,1-4H2,(H,12,16)(H,14,15).
What are the key properties of 2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid?
2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid has a molecular weight of 252.29 g/mol, XLogP of 2.12, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid is sourced from PubChem (CID 82376398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).