methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate

C16H19NO3 — CID 60780634

IUPACmethyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1c(OC)ccc2ccccc12
InChIInChI=1S/C16H19NO3/c1-11(16(18)20-3)17-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9,11,17H,10H2,1-3H3
InChIKeyGMSTWIUFHXRWRH-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.50
Rot. Bonds5

About methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate

methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate (PubChem CID 60780634) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
PubChem CID60780634
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Namemethyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate
SMILESCOC(=O)C(C)NCc1c(OC)ccc2ccccc12
InChIInChI=1S/C16H19NO3/c1-11(16(18)20-3)17-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9,11,17H,10H2,1-3H3
InChIKeyGMSTWIUFHXRWRH-UHFFFAOYSA-N
XLogP2.50
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-methoxynaphthalen-1-yl)methyl]butan-2-amine;hydrochloride
CID 17292334
4-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide;hydrochloride
CID 120559869
2-[(2-methoxynaphthalen-1-yl)methylamino]butan-1-ol
CID 3160564
(2S)-2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119709365
N-[(2-methoxynaphthalen-1-yl)methyl]hexan-2-amine
CID 63478488
2-[(2-phenylmethoxynaphthalen-1-yl)methylamino]propanoic acid
CID 66527244
2-[(2-methoxynaphthalen-1-yl)methylamino]-5,5-dimethylhexanoic acid
CID 175558771
2-amino-N-[(2-methoxynaphthalen-1-yl)methyl]pentanamide
CID 119281603
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
(2R)-1-(2-methoxynaphthalen-1-yl)propan-2-ol
CID 92532795
methyl (2S)-2-(quinolin-2-ylmethylamino)propanoate
CID 61141163
N-[(2-methoxynaphthalen-1-yl)methyl]-2-methylbutan-1-amine
CID 62693267

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate?
The IUPAC name of methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate (CID 60780634) is methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate.
What is the SMILES notation for methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate?
The canonical SMILES for methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate is COC(=O)C(C)NCc1c(OC)ccc2ccccc12.
What is the InChIKey of methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate?
The InChIKey is GMSTWIUFHXRWRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-11(16(18)20-3)17-10-14-13-7-5-4-6-12(13)8-9-15(14)19-2/h4-9,11,17H,10H2,1-3H3.
What are the key properties of methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate?
methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate has a molecular weight of 273.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxynaphthalen-1-yl)methylamino]propanoate is sourced from PubChem (CID 60780634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).