3-naphthalen-1-ylbutanoic acid

C14H14O2 — CID 43211329

IUPAC3-naphthalen-1-ylbutanoic acid
SMILESCC(CC(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H14O2/c1-10(9-14(15)16)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,9H2,1H3,(H,15,16)
InChIKeyRTYRKKRZQSSAQN-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.42
Rot. Bonds3

About 3-naphthalen-1-ylbutanoic acid

3-naphthalen-1-ylbutanoic acid (PubChem CID 43211329) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-naphthalen-1-ylbutanoic acid.

Molecular Properties

Compound Name3-naphthalen-1-ylbutanoic acid
PubChem CID43211329
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name3-naphthalen-1-ylbutanoic acid
SMILESCC(CC(=O)O)c1cccc2ccccc12
InChIInChI=1S/C14H14O2/c1-10(9-14(15)16)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,9H2,1H3,(H,15,16)
InChIKeyRTYRKKRZQSSAQN-UHFFFAOYSA-N
XLogP3.42
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl (3R)-3-naphthalen-1-ylbutanoate
CID 170621952
ethane;2-naphthalen-1-ylpropanoic acid
CID 144663129
3-(2-chlorophenyl)butanoic acid
CID 54775987
(3S)-3-(1H-indol-7-yl)butanoic acid
CID 96762196
(3R)-3-naphthalen-1-yl-1-(3,4,5-trihydroxyphenyl)butan-1-one
CID 159548668
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-[carboxymethyl-[(1S)-1-naphthalen-1-ylethyl]amino]acetic acid
CID 118026822
acetic acid;(3R)-3-(2-aminophenyl)butanoic acid
CID 67106940
CID 167634596
CID 167634596
5-naphthalen-1-ylhex-1-yn-3-one;1,3-xylene
CID 159655947
(3R)-3-naphthalen-1-yl-1-(4-nitrophenyl)butan-1-one
CID 101338138
3-(7-propan-2-yl-1H-indol-3-yl)butanoic acid
CID 76846716

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylbutanoic acid?
The IUPAC name of 3-naphthalen-1-ylbutanoic acid (CID 43211329) is 3-naphthalen-1-ylbutanoic acid.
What is the SMILES notation for 3-naphthalen-1-ylbutanoic acid?
The canonical SMILES for 3-naphthalen-1-ylbutanoic acid is CC(CC(=O)O)c1cccc2ccccc12.
What is the InChIKey of 3-naphthalen-1-ylbutanoic acid?
The InChIKey is RTYRKKRZQSSAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-10(9-14(15)16)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,9H2,1H3,(H,15,16).
What are the key properties of 3-naphthalen-1-ylbutanoic acid?
3-naphthalen-1-ylbutanoic acid has a molecular weight of 214.26 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylbutanoic acid is sourced from PubChem (CID 43211329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).