methyl 3-(naphthalen-2-ylamino)propanoate

C14H15NO2 — CID 2986830

IUPACmethyl 3-(naphthalen-2-ylamino)propanoate
SMILESCOC(=O)CCNc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-17-14(16)8-9-15-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,15H,8-9H2,1H3
InChIKeyIYJRJGVMXNFKHL-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.81
Rot. Bonds4

About methyl 3-(naphthalen-2-ylamino)propanoate

methyl 3-(naphthalen-2-ylamino)propanoate (PubChem CID 2986830) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 3-(naphthalen-2-ylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-(naphthalen-2-ylamino)propanoate
PubChem CID2986830
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 3-(naphthalen-2-ylamino)propanoate
SMILESCOC(=O)CCNc1ccc2ccccc2c1
InChIInChI=1S/C14H15NO2/c1-17-14(16)8-9-15-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,15H,8-9H2,1H3
InChIKeyIYJRJGVMXNFKHL-UHFFFAOYSA-N
XLogP2.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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 3-(naphthalen-2-ylamino)propanoate?
The IUPAC name of methyl 3-(naphthalen-2-ylamino)propanoate (CID 2986830) is methyl 3-(naphthalen-2-ylamino)propanoate.
What is the SMILES notation for methyl 3-(naphthalen-2-ylamino)propanoate?
The canonical SMILES for methyl 3-(naphthalen-2-ylamino)propanoate is COC(=O)CCNc1ccc2ccccc2c1.
What is the InChIKey of methyl 3-(naphthalen-2-ylamino)propanoate?
The InChIKey is IYJRJGVMXNFKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-14(16)8-9-15-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,15H,8-9H2,1H3.
What are the key properties of methyl 3-(naphthalen-2-ylamino)propanoate?
methyl 3-(naphthalen-2-ylamino)propanoate has a molecular weight of 229.28 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(naphthalen-2-ylamino)propanoate is sourced from PubChem (CID 2986830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).