3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid

C17H20O2 — CID 81432803

IUPAC3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid
SMILESCc1ccc2ccccc2c1CCC(C)CC(=O)O
InChIInChI=1S/C17H20O2/c1-12(11-17(18)19)7-10-15-13(2)8-9-14-5-3-4-6-16(14)15/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,18,19)
InChIKeyJBPLEVQZDQNAQE-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.19
Rot. Bonds5

About 3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid

3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid (PubChem CID 81432803) has the molecular formula C17H20O2 and a molecular weight of 256.35 g/mol. Its IUPAC name is 3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid.

Molecular Properties

Compound Name3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid
PubChem CID81432803
Molecular FormulaC17H20O2
Molecular Weight256.35 g/mol
Exact Mass256.15
IUPAC Name3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid
SMILESCc1ccc2ccccc2c1CCC(C)CC(=O)O
InChIInChI=1S/C17H20O2/c1-12(11-17(18)19)7-10-15-13(2)8-9-14-5-3-4-6-16(14)15/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,18,19)
InChIKeyJBPLEVQZDQNAQE-UHFFFAOYSA-N
XLogP4.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,3-dimethyl-5-(2-methylnaphthalen-1-yl)pentanoic acid
CID 81431231
methyl 3-(2-methylnaphthalen-1-yl)propanoate
CID 82550347
3-naphthalen-1-ylbutanoic acid
CID 43211329
[2-[(2-methylnaphthalen-1-yl)methylsulfanyl]phenyl]carbamic acid
CID 22744788
3-methyl-5-(naphthalen-1-ylmethylamino)-5-oxopentanoic acid
CID 62965446
2-[(2-methylnaphthalen-1-yl)amino]propanoic acid
CID 22906744
3-(2-methylnaphthalen-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880788
3-methyl-4-[(2-naphthalen-1-ylacetyl)amino]butanoic acid
CID 81063161
5-(2,4-difluoro-5-methylphenyl)-3-methylpentanoic acid
CID 79731840
3-methyl-3-(2-methylnaphthalen-1-yl)butanoic acid
CID 81432278
carbonic acid;1-methylnaphthalene
CID 66808059
methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate
CID 12769770

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid?
The IUPAC name of 3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid (CID 81432803) is 3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid.
What is the SMILES notation for 3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid?
The canonical SMILES for 3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid is Cc1ccc2ccccc2c1CCC(C)CC(=O)O.
What is the InChIKey of 3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid?
The InChIKey is JBPLEVQZDQNAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-12(11-17(18)19)7-10-15-13(2)8-9-14-5-3-4-6-16(14)15/h3-6,8-9,12H,7,10-11H2,1-2H3,(H,18,19).
What are the key properties of 3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid?
3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid has a molecular weight of 256.35 g/mol, XLogP of 4.19, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2-methylnaphthalen-1-yl)pentanoic acid is sourced from PubChem (CID 81432803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).