(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid

C18H24O5 — CID 26763396

IUPAC(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
SMILESCOC(=O)COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)O)CC2
InChIInChI=1S/C18H24O5/c1-10-7-16(23-9-17(19)22-4)12(3)15-8-13(5-6-14(10)15)11(2)18(20)21/h7,11,13H,5-6,8-9H2,1-4H3,(H,20,21)/t11-,13+/m0/s1
InChIKeyBLUXWGBOANYQPU-WCQYABFASA-N
MW320.39 g/mol
LogP2.68
Rot. Bonds5

About (2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid

(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid (PubChem CID 26763396) has the molecular formula C18H24O5 and a molecular weight of 320.39 g/mol. Its IUPAC name is (2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
PubChem CID26763396
Molecular FormulaC18H24O5
Molecular Weight320.39 g/mol
Exact Mass320.16
IUPAC Name(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
SMILESCOC(=O)COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)O)CC2
InChIInChI=1S/C18H24O5/c1-10-7-16(23-9-17(19)22-4)12(3)15-8-13(5-6-14(10)15)11(2)18(20)21/h7,11,13H,5-6,8-9H2,1-4H3,(H,20,21)/t11-,13+/m0/s1
InChIKeyBLUXWGBOANYQPU-WCQYABFASA-N
XLogP2.68
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[7-[1-(cyclopropylamino)-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 3704249
(2S)-2-[(2R)-7-[2-(dimethylamino)ethoxy]-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
CID 26763381
2-[[(7R)-7-[(2S)-1-anilino-1-oxopropan-2-yl]-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 7135426
2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-1-(4-hydroxypiperidin-1-yl)propan-1-one
CID 3719827
prop-2-ynyl (2R)-2-[(2R)-7-acetyloxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoate
CID 134143715
(2S)-2-(5,8-dimethyl-7-propoxy-1,2,3,4-tetrahydronaphthalen-2-yl)-N-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]propanamide
CID 143553713
methyl 2-(5-cyclopentyl-2-methylphenoxy)acetate
CID 165142972
methyl 2-[(2-ethyl-6,7-dimethyl-1-oxo-2,3-dihydroinden-5-yl)oxy]acetate
CID 54111319
methyl 2-(2,5-dimethylphenoxy)acetate
CID 729953
methyl 2-(2-methyl-3-propan-2-ylphenoxy)acetate
CID 143093079
methyl 2-[[6-(2-methoxy-2-oxoethoxy)-3-methyl-1-benzothiophen-5-yl]oxy]acetate
CID 68659260
(2S)-N-cyclopropyl-2-[(1R)-1-hydroxy-5,8-dimethyl-7-prop-2-enoxy-1,2,3,4-tetrahydronaphthalen-2-yl]propanamide
CID 44716768

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid?
The IUPAC name of (2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid (CID 26763396) is (2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid is COC(=O)COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)O)CC2.
What is the InChIKey of (2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid?
The InChIKey is BLUXWGBOANYQPU-WCQYABFASA-N. The full InChI is InChI=1S/C18H24O5/c1-10-7-16(23-9-17(19)22-4)12(3)15-8-13(5-6-14(10)15)11(2)18(20)21/h7,11,13H,5-6,8-9H2,1-4H3,(H,20,21)/t11-,13+/m0/s1.
What are the key properties of (2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid?
(2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-7-(2-methoxy-2-oxoethoxy)-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid is sourced from PubChem (CID 26763396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).