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

C16H22O3 — CID 7018317

IUPAC(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
SMILESCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)O)CC2
InChIInChI=1S/C16H22O3/c1-9-7-15(19-4)11(3)14-8-12(5-6-13(9)14)10(2)16(17)18/h7,10,12H,5-6,8H2,1-4H3,(H,17,18)/t10-,12+/m0/s1
InChIKeyGEPNFRNPGAYTLR-CMPLNLGQSA-N
MW262.35 g/mol
LogP3.14
Rot. Bonds3

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

(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid (PubChem CID 7018317) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
PubChem CID7018317
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Name(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid
SMILESCOc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)O)CC2
InChIInChI=1S/C16H22O3/c1-9-7-15(19-4)11(3)14-8-12(5-6-13(9)14)10(2)16(17)18/h7,10,12H,5-6,8H2,1-4H3,(H,17,18)/t10-,12+/m0/s1
InChIKeyGEPNFRNPGAYTLR-CMPLNLGQSA-N
XLogP3.14
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid?
The IUPAC name of (2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid (CID 7018317) is (2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid.
What is the SMILES notation for (2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid?
The canonical SMILES for (2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid is COc1cc(C)c2c(c1C)C[C@H]([C@H](C)C(=O)O)CC2.
What is the InChIKey of (2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid?
The InChIKey is GEPNFRNPGAYTLR-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H22O3/c1-9-7-15(19-4)11(3)14-8-12(5-6-13(9)14)10(2)16(17)18/h7,10,12H,5-6,8H2,1-4H3,(H,17,18)/t10-,12+/m0/s1.
What are the key properties of (2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid?
(2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2R)-7-methoxy-5,8-dimethyl-1,2,3,4-tetrahydronaphthalen-2-yl]propanoic acid is sourced from PubChem (CID 7018317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).