methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate

C15H15NO3 — CID 2264287

IUPACmethyl 4-(naphthalen-1-ylamino)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H15NO3/c1-19-15(18)10-9-14(17)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyXUIKSWAWRAMUOX-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.73
Rot. Bonds4

About methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate

methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate (PubChem CID 2264287) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-(naphthalen-1-ylamino)-4-oxobutanoate
PubChem CID2264287
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 4-(naphthalen-1-ylamino)-4-oxobutanoate
SMILESCOC(=O)CCC(=O)Nc1cccc2ccccc12
InChIInChI=1S/C15H15NO3/c1-19-15(18)10-9-14(17)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H,16,17)
InChIKeyXUIKSWAWRAMUOX-UHFFFAOYSA-N
XLogP2.73
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate?
The IUPAC name of methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate (CID 2264287) is methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate.
What is the SMILES notation for methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate?
The canonical SMILES for methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate is COC(=O)CCC(=O)Nc1cccc2ccccc12.
What is the InChIKey of methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate?
The InChIKey is XUIKSWAWRAMUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-19-15(18)10-9-14(17)16-13-8-4-6-11-5-2-3-7-12(11)13/h2-8H,9-10H2,1H3,(H,16,17).
What are the key properties of methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate?
methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate has a molecular weight of 257.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(naphthalen-1-ylamino)-4-oxobutanoate is sourced from PubChem (CID 2264287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).