3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid

C15H20O2 — CID 20556031

IUPAC3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
SMILESCC(C)C(C(=O)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H20O2/c1-10(2)14(15(16)17)13-8-7-11-5-3-4-6-12(11)9-13/h7-10,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyPOSQUAUQQCPXQW-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.39
Rot. Bonds3

About 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid

3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid (PubChem CID 20556031) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid.

Molecular Properties

Compound Name3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
PubChem CID20556031
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid
SMILESCC(C)C(C(=O)O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C15H20O2/c1-10(2)14(15(16)17)13-8-7-11-5-3-4-6-12(11)9-13/h7-10,14H,3-6H2,1-2H3,(H,16,17)
InChIKeyPOSQUAUQQCPXQW-UHFFFAOYSA-N
XLogP3.39
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]propanoic acid
CID 54959578
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
CID 117047620
2-[1-(2,3-dihydro-1H-inden-5-yl)ethylamino]propanoic acid
CID 54959527
3-(4-ethylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 83953183
1-(2,3-dihydro-1H-inden-5-yl)-2-methylpropan-1-ol
CID 61087028
3-amino-2,2-dimethyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 116937900
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanal
CID 82040234
3-methyl-2-(5,6,7,8-tetrahydronaphthalene-2-carbonyl)butanoic acid
CID 116922913
ethane;methane;6-propan-2-yl-1,2,3,4-tetrahydronaphthalene
CID 160891896
1-(2,3-dihydro-1H-inden-5-yl)-1-hydroxy-3-methylbutan-2-one
CID 116835964
(1R,2R)-2-(propan-2-ylamino)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 7047598
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid?
The IUPAC name of 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid (CID 20556031) is 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid.
What is the SMILES notation for 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid?
The canonical SMILES for 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid is CC(C)C(C(=O)O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid?
The InChIKey is POSQUAUQQCPXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-10(2)14(15(16)17)13-8-7-11-5-3-4-6-12(11)9-13/h7-10,14H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid?
3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid has a molecular weight of 232.32 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoic acid is sourced from PubChem (CID 20556031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).