(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine

C20H21NO3 — CID 175762136

IUPAC(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine
SMILESCOc1ccc2cc([C@H](C)C(=O)O)ccc2c1.Cc1ccccn1
InChIInChI=1S/C14H14O3.C6H7N/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;1-6-4-2-3-5-7-6/h3-9H,1-2H3,(H,15,16);2-5H,1H3/t9-;/m0./s1
InChIKeyFWYWPHBRKKTGSE-FVGYRXGTSA-N
MW323.39 g/mol
LogP4.43
Rot. Bonds3

About (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine

(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine (PubChem CID 175762136) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine.

Molecular Properties

Compound Name(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine
PubChem CID175762136
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine
SMILESCOc1ccc2cc([C@H](C)C(=O)O)ccc2c1.Cc1ccccn1
InChIInChI=1S/C14H14O3.C6H7N/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;1-6-4-2-3-5-7-6/h3-9H,1-2H3,(H,15,16);2-5H,1H3/t9-;/m0./s1
InChIKeyFWYWPHBRKKTGSE-FVGYRXGTSA-N
XLogP4.43
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
bis((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid);piperazine
CID 76968825
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
3,3,3-trideuterio-2-(6-methoxynaphthalen-2-yl)(313C)propanoic acid
CID 46782447
phenyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 129098564
1-hydroxypyrrolidine-2,5-dione;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 131744188
ethyl 4-aminobenzoate;(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 121437225
2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308427
2-(2-phenylimidazol-1-yl)ethyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 71558574

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine?
The IUPAC name of (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine (CID 175762136) is (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine.
What is the SMILES notation for (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine?
The canonical SMILES for (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine is COc1ccc2cc([C@H](C)C(=O)O)ccc2c1.Cc1ccccn1.
What is the InChIKey of (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine?
The InChIKey is FWYWPHBRKKTGSE-FVGYRXGTSA-N. The full InChI is InChI=1S/C14H14O3.C6H7N/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10;1-6-4-2-3-5-7-6/h3-9H,1-2H3,(H,15,16);2-5H,1H3/t9-;/m0./s1.
What are the key properties of (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine?
(2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine has a molecular weight of 323.39 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid;2-methylpyridine is sourced from PubChem (CID 175762136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).