(2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid

C14H14O3 — CID 24795899

IUPAC(2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid
SMILES[2H]c1cc2c([2H])c([C@H](C)C(=O)O)cc([2H])c2cc1OC
InChIInChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1/i4D,6D,7D
InChIKeyCMWTZPSULFXXJA-ZENBBXGSSA-N
MW233.28 g/mol
LogP3.04
Rot. Bonds3

About (2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid

(2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid (PubChem CID 24795899) has the molecular formula C14H14O3 and a molecular weight of 233.28 g/mol. Its IUPAC name is (2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid
PubChem CID24795899
Molecular FormulaC14H14O3
Molecular Weight233.28 g/mol
Exact Mass233.11
IUPAC Name(2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid
SMILES[2H]c1cc2c([2H])c([C@H](C)C(=O)O)cc([2H])c2cc1OC
InChIInChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1/i4D,6D,7D
InChIKeyCMWTZPSULFXXJA-ZENBBXGSSA-N
XLogP3.04
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,3-trideuterio-2-[1,3,4-trideuterio-6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid
CID 59014985
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
2-deuterio-2-(1,3,4,5,7,8-hexadeuterio-6-methoxynaphthalen-2-yl)propanoic acid;2-deuterio-2-[6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid;2,3,3,3-tetradeuterio-2-(1,3,4,5,7,8-hexadeuterio-6-methoxynaphthalen-2-yl)propanoic acid;2,3,3,3-tetradeuterio-2-(6-methoxynaphthalen-2-yl)propanoic acid;2,3,3,3-tetradeuterio-2-[6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid;3,3,3-trideuterio-2-(1,3,4,5,7,8-hexadeuterio-6-methoxynaphthalen-2-yl)propanoic acid;2-(1,3,4-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid;2-[6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid;3,3,3-trideuterio-2-[6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid
CID 159503901
2-deuterio-2-(1,3,4,5,7,8-hexadeuterio-6-methoxynaphthalen-2-yl)propanoic acid;2-deuterio-2-[5,7,8-trideuterio-6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid;2-(1,3,4,5,7,8-hexadeuterio-6-methoxynaphthalen-2-yl)propanoic acid;2,3,3,3-tetradeuterio-2-(1,3,4,5,7,8-hexadeuterio-6-methoxynaphthalen-2-yl)propanoic acid;2,3,3,3-tetradeuterio-2-[5,7,8-trideuterio-6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid;3,3,3-trideuterio-2-(1,3,4,5,7,8-hexadeuterio-6-methoxynaphthalen-2-yl)propanoic acid;2-[5,7,8-trideuterio-6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid;3,3,3-trideuterio-2-[5,7,8-trideuterio-6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid
CID 158666013
3,3,3-trideuterio-2-(6-methoxynaphthalen-2-yl)(313C)propanoic acid
CID 46782447
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825
1-(4-methoxyphenyl)ethanone;2-(4-methoxyphenyl)propanoic acid
CID 157331478
2-deuterio-2-[1,3,4,5,7,8-hexadeuterio-6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid;2-[1,3,4,5,7,8-hexadeuterio-6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid;2,3,3,3-tetradeuterio-2-(1,3,4,5,7,8-hexadeuterio-6-methoxynaphthalen-2-yl)propanoic acid;2,3,3,3-tetradeuterio-2-[1,3,4,5,7,8-hexadeuterio-6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid;3,3,3-trideuterio-2-(1,3,4,5,7,8-hexadeuterio-6-methoxynaphthalen-2-yl)propanoic acid;3,3,3-trideuterio-2-[1,3,4,5,7,8-hexadeuterio-6-(trideuteriomethoxy)naphthalen-2-yl]propanoic acid
CID 161218615
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid?
The IUPAC name of (2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid (CID 24795899) is (2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid is [2H]c1cc2c([2H])c([C@H](C)C(=O)O)cc([2H])c2cc1OC.
What is the InChIKey of (2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid?
The InChIKey is CMWTZPSULFXXJA-ZENBBXGSSA-N. The full InChI is InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1/i4D,6D,7D.
What are the key properties of (2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid?
(2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid has a molecular weight of 233.28 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,4,7-trideuterio-6-methoxynaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 24795899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).