methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate

C15H17NO2 — CID 12769770

IUPACmethyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1c(C)ccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-10-8-9-12-6-4-5-7-13(12)14(10)16-11(2)15(17)18-3/h4-9,11,16H,1-3H3
InChIKeyBJLWGNZYCHQQBV-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.12
Rot. Bonds3

About methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate

methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate (PubChem CID 12769770) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate
PubChem CID12769770
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Namemethyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate
SMILESCOC(=O)C(C)Nc1c(C)ccc2ccccc12
InChIInChI=1S/C15H17NO2/c1-10-8-9-12-6-4-5-7-13(12)14(10)16-11(2)15(17)18-3/h4-9,11,16H,1-3H3
InChIKeyBJLWGNZYCHQQBV-UHFFFAOYSA-N
XLogP3.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate?
The IUPAC name of methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate (CID 12769770) is methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate.
What is the SMILES notation for methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate?
The canonical SMILES for methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate is COC(=O)C(C)Nc1c(C)ccc2ccccc12.
What is the InChIKey of methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate?
The InChIKey is BJLWGNZYCHQQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-8-9-12-6-4-5-7-13(12)14(10)16-11(2)15(17)18-3/h4-9,11,16H,1-3H3.
What are the key properties of methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate?
methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate has a molecular weight of 243.31 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methylnaphthalen-1-yl)amino]propanoate is sourced from PubChem (CID 12769770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).