(3S)-3-naphthalen-2-ylbutanoic acid

C14H14O2 — CID 11350489

IUPAC(3S)-3-naphthalen-2-ylbutanoic acid
SMILESC[C@@H](CC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O2/c1-10(8-14(15)16)12-7-6-11-4-2-3-5-13(11)9-12/h2-7,9-10H,8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyKGAINHOXCJDQDK-JTQLQIEISA-N
MW214.26 g/mol
LogP3.42
Rot. Bonds3

About (3S)-3-naphthalen-2-ylbutanoic acid

(3S)-3-naphthalen-2-ylbutanoic acid (PubChem CID 11350489) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is (3S)-3-naphthalen-2-ylbutanoic acid.

Molecular Properties

Compound Name(3S)-3-naphthalen-2-ylbutanoic acid
PubChem CID11350489
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name(3S)-3-naphthalen-2-ylbutanoic acid
SMILESC[C@@H](CC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C14H14O2/c1-10(8-14(15)16)12-7-6-11-4-2-3-5-13(11)9-12/h2-7,9-10H,8H2,1H3,(H,15,16)/t10-/m0/s1
InChIKeyKGAINHOXCJDQDK-JTQLQIEISA-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

(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
CID 127263273
(3R)-3-[[(2R)-2-hydroxy-2-naphthalen-2-ylethyl]amino]butanoic acid
CID 125470025
3-[4-(4-phenoxyphenoxy)phenyl]butanoic acid
CID 70842776
4-hydroxy-3-(methylamino)-4-naphthalen-2-ylbutanoic acid
CID 82348116
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
3-[1-naphthalen-2-ylethyl(propan-2-yl)amino]propanoic acid
CID 65057412
4-methyl-2-naphthalen-2-ylpentanoic acid
CID 54477032
3-(2,1-benzoxazol-6-yl)butanoic acid
CID 84778226
3-(1-naphthalen-2-ylethylamino)propanoic acid
CID 43087222
bis(2-aminoacetic acid);3-phenylbutanoic acid
CID 19068405
3-(3-chlorophenyl)butanoic acid
CID 71683749

Frequently Asked Questions

What is the IUPAC name of (3S)-3-naphthalen-2-ylbutanoic acid?
The IUPAC name of (3S)-3-naphthalen-2-ylbutanoic acid (CID 11350489) is (3S)-3-naphthalen-2-ylbutanoic acid.
What is the SMILES notation for (3S)-3-naphthalen-2-ylbutanoic acid?
The canonical SMILES for (3S)-3-naphthalen-2-ylbutanoic acid is C[C@@H](CC(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (3S)-3-naphthalen-2-ylbutanoic acid?
The InChIKey is KGAINHOXCJDQDK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14O2/c1-10(8-14(15)16)12-7-6-11-4-2-3-5-13(11)9-12/h2-7,9-10H,8H2,1H3,(H,15,16)/t10-/m0/s1.
What are the key properties of (3S)-3-naphthalen-2-ylbutanoic acid?
(3S)-3-naphthalen-2-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 (3S)-3-naphthalen-2-ylbutanoic acid is sourced from PubChem (CID 11350489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).