methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate

C14H15NO2 — CID 29059560

IUPACmethyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)C[C@@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-17-14(16)9-13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9,15H2,1H3/t13-/m1/s1
InChIKeyJFWNNOBLJXSMPG-CYBMUJFWSA-N
MW229.28 g/mol
LogP2.40
Rot. Bonds3

About methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate

methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate (PubChem CID 29059560) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
PubChem CID29059560
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
SMILESCOC(=O)C[C@@H](N)c1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-17-14(16)9-13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9,15H2,1H3/t13-/m1/s1
InChIKeyJFWNNOBLJXSMPG-CYBMUJFWSA-N
XLogP2.40
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361476
methyl (3R)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 14361475
3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine
CID 142977536
(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
CID 127263273
methyl (3S)-3-amino-3-(3,4-diphenoxyphenyl)propanoate
CID 171238957
methyl (3S)-3-amino-3-(4-phenoxyphenyl)propanoate
CID 171242566
methyl (3R)-3-amino-3-(4-phenoxyphenyl)propanoate;hydrochloride
CID 171249296
methyl 3-amino-3-(4-propan-2-ylphenyl)propanoate;hydrochloride
CID 137346948
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
methyl (3R)-3-amino-3-(3,4-difluorophenyl)propanoate
CID 29059566
bis(methyl (3S)-3-amino-3-(3,4-dimethoxyphenyl)propanoate);bis(methyl (3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoate)
CID 157337826

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate?
The IUPAC name of methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate (CID 29059560) is methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate?
The canonical SMILES for methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate is COC(=O)C[C@@H](N)c1ccc2ccccc2c1.
What is the InChIKey of methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate?
The InChIKey is JFWNNOBLJXSMPG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-14(16)9-13(15)12-7-6-10-4-2-3-5-11(10)8-12/h2-8,13H,9,15H2,1H3/t13-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate?
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate has a molecular weight of 229.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate is sourced from PubChem (CID 29059560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).