methyl 2-(naphthalen-2-ylamino)propanoate

C14H15NO2 — CID 593740

IUPACmethyl 2-(naphthalen-2-ylamino)propanoate
SMILESCOC(=O)C(C)Nc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-10(14(16)17-2)15-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,15H,1-2H3
InChIKeyWKUSHTBMLICFKL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.81
Rot. Bonds3

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

methyl 2-(naphthalen-2-ylamino)propanoate (PubChem CID 593740) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2-(naphthalen-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(naphthalen-2-ylamino)propanoate
PubChem CID593740
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 2-(naphthalen-2-ylamino)propanoate
SMILESCOC(=O)C(C)Nc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-10(14(16)17-2)15-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,15H,1-2H3
InChIKeyWKUSHTBMLICFKL-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 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 ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(naphthalen-2-ylamino)propanoate?
The IUPAC name of methyl 2-(naphthalen-2-ylamino)propanoate (CID 593740) is methyl 2-(naphthalen-2-ylamino)propanoate.
What is the SMILES notation for methyl 2-(naphthalen-2-ylamino)propanoate?
The canonical SMILES for methyl 2-(naphthalen-2-ylamino)propanoate is COC(=O)C(C)Nc1ccc2ccccc2c1.
What is the InChIKey of methyl 2-(naphthalen-2-ylamino)propanoate?
The InChIKey is WKUSHTBMLICFKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-10(14(16)17-2)15-13-8-7-11-5-3-4-6-12(11)9-13/h3-10,15H,1-2H3.
What are the key properties of methyl 2-(naphthalen-2-ylamino)propanoate?
methyl 2-(naphthalen-2-ylamino)propanoate has a molecular weight of 229.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(naphthalen-2-ylamino)propanoate is sourced from PubChem (CID 593740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).