methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate

C16H17NO4 — CID 4600742

IUPACmethyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C16H17NO4/c1-11(16(19)20-2)17-15(18)10-21-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3,(H,17,18)
InChIKeyRANRDFZKUOWANN-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.90
Rot. Bonds5

About methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate

methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate (PubChem CID 4600742) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate
PubChem CID4600742
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Namemethyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate
SMILESCOC(=O)C(C)NC(=O)COc1ccc2ccccc2c1
InChIInChI=1S/C16H17NO4/c1-11(16(19)20-2)17-15(18)10-21-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3,(H,17,18)
InChIKeyRANRDFZKUOWANN-UHFFFAOYSA-N
XLogP1.90
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate?
The IUPAC name of methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate (CID 4600742) is methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate is COC(=O)C(C)NC(=O)COc1ccc2ccccc2c1.
What is the InChIKey of methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate?
The InChIKey is RANRDFZKUOWANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-11(16(19)20-2)17-15(18)10-21-14-8-7-12-5-3-4-6-13(12)9-14/h3-9,11H,10H2,1-2H3,(H,17,18).
What are the key properties of methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate?
methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate has a molecular weight of 287.31 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate is sourced from PubChem (CID 4600742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).