spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid

C11H13NO3S — CID 82376580

IUPACspiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid
SMILESO=C(O)c1scc2c1NCC1(CCCC1)O2
InChIInChI=1S/C11H13NO3S/c13-10(14)9-8-7(5-16-9)15-11(6-12-8)3-1-2-4-11/h5,12H,1-4,6H2,(H,13,14)
InChIKeyDXQZEEVZHIPJIS-UHFFFAOYSA-N
MW239.30 g/mol
LogP2.56
Rot. Bonds1

About spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid

spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid (PubChem CID 82376580) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid.

Molecular Properties

Compound Namespiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid
PubChem CID82376580
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Namespiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid
SMILESO=C(O)c1scc2c1NCC1(CCCC1)O2
InChIInChI=1S/C11H13NO3S/c13-10(14)9-8-7(5-16-9)15-11(6-12-8)3-1-2-4-11/h5,12H,1-4,6H2,(H,13,14)
InChIKeyDXQZEEVZHIPJIS-UHFFFAOYSA-N
XLogP2.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclohexane]-5-carboxylic acid
CID 82376578
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-5-ol
CID 115097986
5-methylspiro[3,4-dihydropyrrolo[3,2-b][1,4]oxazine-2,1'-cyclohexane]-6-carboxylic acid
CID 82377689
2-oxospiro[1,4-dihydrothieno[3,4-b]pyrazine-3,1'-cyclopentane]-7-carboxylic acid
CID 82376398
(5R)-9-(2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95722187
spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclohexane]-7-carboxylic acid
CID 82377124
2-methyl-3-oxo-4H-thieno[3,4-b][1,4]oxazine-5-carboxylic acid
CID 82376415
spiro[3,4-dihydrofuro[3,4-b][1,4]oxazine-2,1'-cyclopentane]
CID 82377337
5-bromospiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclobutane]
CID 115097313
spiro[3,4-dihydro-1,4-benzoxazine-2,1'-cyclohexane]-7-ol
CID 115098139
4-oxo-2,3-dihydro-1H-thieno[3,4-b]pyridine-7-carboxylic acid
CID 112545369
spiro[3,4-dihydro-1,4-benzoxazepine-2,1'-cyclobutane]-5-one
CID 126827517

Frequently Asked Questions

What is the IUPAC name of spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid?
The IUPAC name of spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid (CID 82376580) is spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid.
What is the SMILES notation for spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid?
The canonical SMILES for spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid is O=C(O)c1scc2c1NCC1(CCCC1)O2.
What is the InChIKey of spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid?
The InChIKey is DXQZEEVZHIPJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c13-10(14)9-8-7(5-16-9)15-11(6-12-8)3-1-2-4-11/h5,12H,1-4,6H2,(H,13,14).
What are the key properties of spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid?
spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid has a molecular weight of 239.30 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[3,4-dihydrothieno[3,4-b][1,4]oxazine-2,1'-cyclopentane]-5-carboxylic acid is sourced from PubChem (CID 82376580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).