methyl 2-[amino(naphthalen-2-yl)methyl]butanoate

C16H19NO2 — CID 116946047

IUPACmethyl 2-[amino(naphthalen-2-yl)methyl]butanoate
SMILESCCC(C(=O)OC)C(N)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2/c1-3-14(16(18)19-2)15(17)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14-15H,3,17H2,1-2H3
InChIKeyWSYCOYXSQQEVGS-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.04
Rot. Bonds4

About methyl 2-[amino(naphthalen-2-yl)methyl]butanoate

methyl 2-[amino(naphthalen-2-yl)methyl]butanoate (PubChem CID 116946047) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is methyl 2-[amino(naphthalen-2-yl)methyl]butanoate.

Molecular Properties

Compound Namemethyl 2-[amino(naphthalen-2-yl)methyl]butanoate
PubChem CID116946047
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Namemethyl 2-[amino(naphthalen-2-yl)methyl]butanoate
SMILESCCC(C(=O)OC)C(N)c1ccc2ccccc2c1
InChIInChI=1S/C16H19NO2/c1-3-14(16(18)19-2)15(17)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14-15H,3,17H2,1-2H3
InChIKeyWSYCOYXSQQEVGS-UHFFFAOYSA-N
XLogP3.04
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-1-naphthalen-2-ylbutan-1-amine
CID 63718165
methyl 2-[amino-(4-ethylsulfanylphenyl)methyl]butanoate
CID 116946012
2-methoxy-1-naphthalen-2-ylbutan-1-amine
CID 116715210
ethyl (3R)-3-amino-2-fluoro-3-naphthalen-2-ylpropanoate
CID 171240068
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
dimethyl 2-[(1R)-1-naphthalen-2-ylethyl]propanedioate
CID 101238561
methyl (2R)-2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 177394965
methyl 2-naphthalen-2-yl-4-oxo-4-phenylbutanoate
CID 102072351
diethyl 2,3-dinaphthalen-2-ylbutanedioate
CID 611707
(1R,2S)-1,2-dinaphthalen-2-ylethane-1,2-diamine
CID 14048524
methyl 2-(dimethylamino)-2-naphthalen-2-ylacetate
CID 116857164
methyl 2-naphthalen-2-yl-3-oxopropanoate
CID 175120157

Frequently Asked Questions

What is the IUPAC name of methyl 2-[amino(naphthalen-2-yl)methyl]butanoate?
The IUPAC name of methyl 2-[amino(naphthalen-2-yl)methyl]butanoate (CID 116946047) is methyl 2-[amino(naphthalen-2-yl)methyl]butanoate.
What is the SMILES notation for methyl 2-[amino(naphthalen-2-yl)methyl]butanoate?
The canonical SMILES for methyl 2-[amino(naphthalen-2-yl)methyl]butanoate is CCC(C(=O)OC)C(N)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-[amino(naphthalen-2-yl)methyl]butanoate?
The InChIKey is WSYCOYXSQQEVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c1-3-14(16(18)19-2)15(17)13-9-8-11-6-4-5-7-12(11)10-13/h4-10,14-15H,3,17H2,1-2H3.
What are the key properties of methyl 2-[amino(naphthalen-2-yl)methyl]butanoate?
methyl 2-[amino(naphthalen-2-yl)methyl]butanoate has a molecular weight of 257.33 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[amino(naphthalen-2-yl)methyl]butanoate is sourced from PubChem (CID 116946047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).