methyl 2-(naphthalen-2-ylmethylamino)propanoate

C15H17NO2 — CID 60691147

IUPACmethyl 2-(naphthalen-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)NCc1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c1-11(15(17)18-2)16-10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11,16H,10H2,1-2H3
InChIKeyYWWRQQABCOHWEN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.49
Rot. Bonds4

About methyl 2-(naphthalen-2-ylmethylamino)propanoate

methyl 2-(naphthalen-2-ylmethylamino)propanoate (PubChem CID 60691147) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 2-(naphthalen-2-ylmethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(naphthalen-2-ylmethylamino)propanoate
PubChem CID60691147
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namemethyl 2-(naphthalen-2-ylmethylamino)propanoate
SMILESCOC(=O)C(C)NCc1ccc2ccccc2c1
InChIInChI=1S/C15H17NO2/c1-11(15(17)18-2)16-10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11,16H,10H2,1-2H3
InChIKeyYWWRQQABCOHWEN-UHFFFAOYSA-N
XLogP2.49
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (2R,3S)-3-hydroxy-2-(naphthalen-2-ylmethylamino)butanoate
CID 129401896
methyl (2S)-2-(isoquinolin-6-ylmethylamino)propanoate
CID 107037943
methyl 2-[(4-methoxyphenyl)methylamino]propanoate
CID 60780821
ethane;methyl 2-(benzylamino)propanoate
CID 91349755
methyl 2-[(3-propan-2-yloxyphenyl)methylamino]propanoate
CID 54959179
methyl (2S)-2-[(3-hydroxy-4-methoxyphenyl)methylamino]propanoate
CID 43723581
3-methyl-N-(naphthalen-2-ylmethyl)butan-2-amine
CID 43085087
methyl 2-[(3-methylphenyl)methylamino]propanoate
CID 60691173
methyl 2-[(3-hydroxyphenyl)methylamino]propanoate
CID 60780652
3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
CID 60781966

Frequently Asked Questions

What is the IUPAC name of methyl 2-(naphthalen-2-ylmethylamino)propanoate?
The IUPAC name of methyl 2-(naphthalen-2-ylmethylamino)propanoate (CID 60691147) is methyl 2-(naphthalen-2-ylmethylamino)propanoate.
What is the SMILES notation for methyl 2-(naphthalen-2-ylmethylamino)propanoate?
The canonical SMILES for methyl 2-(naphthalen-2-ylmethylamino)propanoate is COC(=O)C(C)NCc1ccc2ccccc2c1.
What is the InChIKey of methyl 2-(naphthalen-2-ylmethylamino)propanoate?
The InChIKey is YWWRQQABCOHWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-11(15(17)18-2)16-10-12-7-8-13-5-3-4-6-14(13)9-12/h3-9,11,16H,10H2,1-2H3.
What are the key properties of methyl 2-(naphthalen-2-ylmethylamino)propanoate?
methyl 2-(naphthalen-2-ylmethylamino)propanoate has a molecular weight of 243.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(naphthalen-2-ylmethylamino)propanoate is sourced from PubChem (CID 60691147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).