methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate

C15H17NO3 — CID 171238349

IUPACmethyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C15H17NO3/c1-18-13-6-5-11-7-10(3-4-12(11)9-13)8-14(16)15(17)19-2/h3-7,9,14H,8,16H2,1-2H3/t14-/m0/s1
InChIKeyHLZFDRDDBOHKJQ-AWEZNQCLSA-N
MW259.31 g/mol
LogP1.89
Rot. Bonds4

About methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate

methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate (PubChem CID 171238349) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
PubChem CID171238349
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1ccc2cc(OC)ccc2c1
InChIInChI=1S/C15H17NO3/c1-18-13-6-5-11-7-10(3-4-12(11)9-13)8-14(16)15(17)19-2/h3-7,9,14H,8,16H2,1-2H3/t14-/m0/s1
InChIKeyHLZFDRDDBOHKJQ-AWEZNQCLSA-N
XLogP1.89
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl 2-amino-3-(6-hydroxynaphthalen-2-yl)propanoate;hydrochloride
CID 54768230
methyl 2-amino-3-(1-benzofuran-5-yl)propanoate
CID 170883536
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
methyl (2R)-2-amino-3-(3,4-dimethylphenyl)propanoate
CID 145416225
methyl 2-amino-3-(5-methoxy-1H-indol-2-yl)propanoate
CID 68805241
methyl 2-amino-3-[4-[(3-methoxyphenyl)methoxy]phenyl]propanoate;hydrochloride
CID 68667398
methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 171238032
(3R)-3-amino-4-(4-methoxyphenyl)butan-2-one;ethane
CID 143607280
methyl 2-amino-3-[6-(2,6-dichlorophenyl)naphthalen-2-yl]propanoate;hydrochloride
CID 69119079
methyl (2R)-2-amino-3-(4-propan-2-yloxyphenyl)propanoate
CID 131251632
4-(6-methoxynaphthalen-2-yl)-3-methylbutanoic acid
CID 116926814

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate?
The IUPAC name of methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate (CID 171238349) is methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate is COC(=O)[C@@H](N)Cc1ccc2cc(OC)ccc2c1.
What is the InChIKey of methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate?
The InChIKey is HLZFDRDDBOHKJQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-13-6-5-11-7-10(3-4-12(11)9-13)8-14(16)15(17)19-2/h3-7,9,14H,8,16H2,1-2H3/t14-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate?
methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate has a molecular weight of 259.31 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(6-methoxynaphthalen-2-yl)propanoate is sourced from PubChem (CID 171238349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).