(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid

C15H16O2 — CID 149459018

IUPAC(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid
SMILESCCc1ccc2cc([C@H](C)C(=O)O)ccc2c1
InChIInChI=1S/C15H16O2/c1-3-11-4-5-14-9-12(10(2)15(16)17)6-7-13(14)8-11/h4-10H,3H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyYZDKUMBJSGZWRL-JTQLQIEISA-N
MW228.29 g/mol
LogP3.59
Rot. Bonds3

About (2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid

(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid (PubChem CID 149459018) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid
PubChem CID149459018
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid
SMILESCCc1ccc2cc([C@H](C)C(=O)O)ccc2c1
InChIInChI=1S/C15H16O2/c1-3-11-4-5-14-9-12(10(2)15(16)17)6-7-13(14)8-11/h4-10H,3H2,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyYZDKUMBJSGZWRL-JTQLQIEISA-N
XLogP3.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(6-ethylnaphthalen-2-yl)hexan-3-one
CID 139352321
carbon monoxide;ethanol;2-ethyl-6-methylnaphthalene;ethyl 2-(6-methylnaphthalen-2-yl)propanoate;2-(6-methylnaphthalen-2-yl)propanoic acid
CID 159779933
2-[3-(3-ethylphenyl)phenyl]propanoic acid
CID 176514342
(2,5-dioxopyrrolidin-1-yl) (2S)-2-(6-ethylnaphthalen-2-yl)propanoate
CID 155282634
2-(6-acetylnaphthalen-2-yl)propanoic acid;azane
CID 173455437
(2R)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid
CID 14367773
2-phthalazin-6-ylpropanoic acid
CID 117290775
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
2-(5-ethyl-1H-indol-2-yl)propanoic acid
CID 83859523

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid?
The IUPAC name of (2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid (CID 149459018) is (2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid?
The canonical SMILES for (2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid is CCc1ccc2cc([C@H](C)C(=O)O)ccc2c1.
What is the InChIKey of (2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid?
The InChIKey is YZDKUMBJSGZWRL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H16O2/c1-3-11-4-5-14-9-12(10(2)15(16)17)6-7-13(14)8-11/h4-10H,3H2,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid?
(2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid has a molecular weight of 228.29 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(6-ethylnaphthalen-2-yl)propanoic acid is sourced from PubChem (CID 149459018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).