[(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate

C20H27NO3 — CID 121466681

IUPAC[(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate
SMILESCC(C)C[C@@H](Oc1ccc2ccccc2c1)[C@H](C)OC(=O)[C@H](C)N
InChIInChI=1S/C20H27NO3/c1-13(2)11-19(15(4)23-20(22)14(3)21)24-18-10-9-16-7-5-6-8-17(16)12-18/h5-10,12-15,19H,11,21H2,1-4H3/t14-,15-,19+/m0/s1
InChIKeyYUXOJLHTWZAOJE-YZVOILCLSA-N
MW329.44 g/mol
LogP3.91
Rot. Bonds7

About [(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate

[(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate (PubChem CID 121466681) has the molecular formula C20H27NO3 and a molecular weight of 329.44 g/mol. Its IUPAC name is [(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate.

Molecular Properties

Compound Name[(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate
PubChem CID121466681
Molecular FormulaC20H27NO3
Molecular Weight329.44 g/mol
Exact Mass329.20
IUPAC Name[(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate
SMILESCC(C)C[C@@H](Oc1ccc2ccccc2c1)[C@H](C)OC(=O)[C@H](C)N
InChIInChI=1S/C20H27NO3/c1-13(2)11-19(15(4)23-20(22)14(3)21)24-18-10-9-16-7-5-6-8-17(16)12-18/h5-10,12-15,19H,11,21H2,1-4H3/t14-,15-,19+/m0/s1
InChIKeyYUXOJLHTWZAOJE-YZVOILCLSA-N
XLogP3.91
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate?
The IUPAC name of [(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate (CID 121466681) is [(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate.
What is the SMILES notation for [(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate?
The canonical SMILES for [(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate is CC(C)C[C@@H](Oc1ccc2ccccc2c1)[C@H](C)OC(=O)[C@H](C)N.
What is the InChIKey of [(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate?
The InChIKey is YUXOJLHTWZAOJE-YZVOILCLSA-N. The full InChI is InChI=1S/C20H27NO3/c1-13(2)11-19(15(4)23-20(22)14(3)21)24-18-10-9-16-7-5-6-8-17(16)12-18/h5-10,12-15,19H,11,21H2,1-4H3/t14-,15-,19+/m0/s1.
What are the key properties of [(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate?
[(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate has a molecular weight of 329.44 g/mol, XLogP of 3.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-5-methyl-3-naphthalen-2-yloxyhexan-2-yl] (2S)-2-aminopropanoate is sourced from PubChem (CID 121466681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).