(2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid

C15H17NO3 — CID 165351752

IUPAC(2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid
SMILESCOc1ccc2cc(C[C@](C)(N)C(=O)O)ccc2c1
InChIInChI=1S/C15H17NO3/c1-15(16,14(17)18)9-10-3-4-12-8-13(19-2)6-5-11(12)7-10/h3-8H,9,16H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyLJHRBXHYALYUMT-HNNXBMFYSA-N
MW259.31 g/mol
LogP2.19
Rot. Bonds4

About (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid

(2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid (PubChem CID 165351752) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid
PubChem CID165351752
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name(2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid
SMILESCOc1ccc2cc(C[C@](C)(N)C(=O)O)ccc2c1
InChIInChI=1S/C15H17NO3/c1-15(16,14(17)18)9-10-3-4-12-8-13(19-2)6-5-11(12)7-10/h3-8H,9,16H2,1-2H3,(H,17,18)/t15-/m0/s1
InChIKeyLJHRBXHYALYUMT-HNNXBMFYSA-N
XLogP2.19
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanoic acid
CID 3831656
(2S)-2-amino-4-(4-methoxyphenyl)-2-methylbutanoic acid
CID 93380969
(2S)-2-amino-3-(4-borono-3-methoxyphenyl)-2-methylpropanoic acid
CID 166544630
(6-methoxynaphthalen-2-yl)methylcarbamic acid
CID 115170918
4-(6-methoxynaphthalen-2-yl)-2-methylbutan-2-amine
CID 116924817
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
CID 171238349
(2S)-2-amino-2-methyl-3-(2-oxobenzimidazol-5-yl)propanoic acid
CID 22799512
2-amino-3-(4-hydroxy-3-(123I)iodophenyl)-2-methylpropanoic acid
CID 131886176
(2S)-2-amino-3-(4-amino-3-hydroxyphenyl)-2-methylpropanoic acid
CID 57311138
(2S)-2-amino-2-methyl-3-(4-phenylmethoxyphenyl)propanoic acid
CID 14019806
benzyl (2R)-2-amino-2-methyl-3-naphthalen-2-ylpropanoate
CID 164676045
(2R)-2-amino-2-methyl-3-phenylpropanoic acid
CID 7023409

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid (CID 165351752) is (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid is COc1ccc2cc(C[C@](C)(N)C(=O)O)ccc2c1.
What is the InChIKey of (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid?
The InChIKey is LJHRBXHYALYUMT-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-15(16,14(17)18)9-10-3-4-12-8-13(19-2)6-5-11(12)7-10/h3-8H,9,16H2,1-2H3,(H,17,18)/t15-/m0/s1.
What are the key properties of (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid?
(2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid has a molecular weight of 259.31 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 165351752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).