2-(naphthalen-2-ylmethyl)butanoic acid

C15H16O2 — CID 77427365

IUPAC2-(naphthalen-2-ylmethyl)butanoic acid
SMILESCCC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H16O2/c1-2-12(15(16)17)9-11-7-8-13-5-3-4-6-14(13)10-11/h3-8,10,12H,2,9H2,1H3,(H,16,17)
InChIKeyIARWDRRPRDDSIH-UHFFFAOYSA-N
MW228.29 g/mol
LogP3.49
Rot. Bonds4

About 2-(naphthalen-2-ylmethyl)butanoic acid

2-(naphthalen-2-ylmethyl)butanoic acid (PubChem CID 77427365) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is 2-(naphthalen-2-ylmethyl)butanoic acid.

Molecular Properties

Compound Name2-(naphthalen-2-ylmethyl)butanoic acid
PubChem CID77427365
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name2-(naphthalen-2-ylmethyl)butanoic acid
SMILESCCC(Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C15H16O2/c1-2-12(15(16)17)9-11-7-8-13-5-3-4-6-14(13)10-11/h3-8,10,12H,2,9H2,1H3,(H,16,17)
InChIKeyIARWDRRPRDDSIH-UHFFFAOYSA-N
XLogP3.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
CID 169444867
phosphoroso 2-(naphthalen-2-ylmethyl)butanoate
CID 175293767
3-naphthalen-2-yl-2-trimethylsilylpropanoic acid
CID 101099223
(2R)-2-[(3,4-dimethylphenyl)methyl]butanoic acid
CID 94240674
2-(2-ethylhexanoylamino)-3-naphthalen-2-ylpropanoic acid
CID 139753313
1-anthracen-2-ylbutan-2-ol
CID 141488114
2-[[[2-(4-acetamidophenyl)acetyl]amino]methyl]-3-naphthalen-2-ylpropanoic acid
CID 122146595
2-[acetyl(methyl)amino]-3-naphthalen-2-ylpropanoic acid
CID 150245391
2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid
CID 67173075
2-[(naphthalen-2-ylcarbamoylamino)methyl]butanoic acid
CID 65222360
2-(2-chlorobutyl)naphthalene
CID 21490588
2-[(2,4-dimethylpent-4-enoylamino)methyl]-3-naphthalen-2-ylpropanoic acid
CID 120687756

Frequently Asked Questions

What is the IUPAC name of 2-(naphthalen-2-ylmethyl)butanoic acid?
The IUPAC name of 2-(naphthalen-2-ylmethyl)butanoic acid (CID 77427365) is 2-(naphthalen-2-ylmethyl)butanoic acid.
What is the SMILES notation for 2-(naphthalen-2-ylmethyl)butanoic acid?
The canonical SMILES for 2-(naphthalen-2-ylmethyl)butanoic acid is CCC(Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-(naphthalen-2-ylmethyl)butanoic acid?
The InChIKey is IARWDRRPRDDSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O2/c1-2-12(15(16)17)9-11-7-8-13-5-3-4-6-14(13)10-11/h3-8,10,12H,2,9H2,1H3,(H,16,17).
What are the key properties of 2-(naphthalen-2-ylmethyl)butanoic acid?
2-(naphthalen-2-ylmethyl)butanoic acid has a molecular weight of 228.29 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(naphthalen-2-ylmethyl)butanoic acid is sourced from PubChem (CID 77427365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).