7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid

C14H17NO3S — CID 80500549

IUPAC7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid
SMILESCOc1ccc2c(c1)CCCC21NC(C(=O)O)CS1
InChIInChI=1S/C14H17NO3S/c1-18-10-4-5-11-9(7-10)3-2-6-14(11)15-12(8-19-14)13(16)17/h4-5,7,12,15H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyULBKOWWRRFQFAH-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.97
Rot. Bonds2

About 7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid

7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid (PubChem CID 80500549) has the molecular formula C14H17NO3S and a molecular weight of 279.36 g/mol. Its IUPAC name is 7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid.

Molecular Properties

Compound Name7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid
PubChem CID80500549
Molecular FormulaC14H17NO3S
Molecular Weight279.36 g/mol
Exact Mass279.09
IUPAC Name7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid
SMILESCOc1ccc2c(c1)CCCC21NC(C(=O)O)CS1
InChIInChI=1S/C14H17NO3S/c1-18-10-4-5-11-9(7-10)3-2-6-14(11)15-12(8-19-14)13(16)17/h4-5,7,12,15H,2-3,6,8H2,1H3,(H,16,17)
InChIKeyULBKOWWRRFQFAH-UHFFFAOYSA-N
XLogP1.97
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-spiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid
CID 107773945
(4S)-spiro[1,3-thiazolidine-2,5'-6,7,8,9-tetrahydrobenzo[7]annulene]-4-carboxylic acid
CID 107774092
methyl 7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylate
CID 122463537
7-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 84620843
ethyl 2-(6-methoxy-1-methyl-3,4-dihydro-2H-naphthalen-1-yl)acetate
CID 101340155
1-hydroxy-7-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 70241546
7-methoxy-4-methyl-4-phenyl-2,3-dihydro-1H-naphthalene
CID 102291297
methyl 2-[1-(ethylamino)-6-methoxy-3,4-dihydro-2H-naphthalen-1-yl]acetate
CID 65234712
6-methoxy-1,2,3,4-tetrahydroquinoline-2-carboxylic acid;hydrochloride
CID 70503014
methyl 1-(cyclopropylmethylamino)-6-methoxy-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 61001121
(4S)-7-methoxyspiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 92849621
2-(1,5-dimethoxy-2,3-dihydroinden-1-yl)acetic acid
CID 105497580

Frequently Asked Questions

What is the IUPAC name of 7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid?
The IUPAC name of 7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid (CID 80500549) is 7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid.
What is the SMILES notation for 7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid?
The canonical SMILES for 7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid is COc1ccc2c(c1)CCCC21NC(C(=O)O)CS1.
What is the InChIKey of 7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid?
The InChIKey is ULBKOWWRRFQFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3S/c1-18-10-4-5-11-9(7-10)3-2-6-14(11)15-12(8-19-14)13(16)17/h4-5,7,12,15H,2-3,6,8H2,1H3,(H,16,17).
What are the key properties of 7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid?
7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid has a molecular weight of 279.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7'-methoxyspiro[1,3-thiazolidine-2,4'-2,3-dihydro-1H-naphthalene]-4-carboxylic acid is sourced from PubChem (CID 80500549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).