methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate

C16H18FNO3 — CID 155730769

IUPACmethyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate
SMILESCC[C@H](CN)Oc1cc2cccc(F)c2cc1C(=O)OC
InChIInChI=1S/C16H18FNO3/c1-3-11(9-18)21-15-7-10-5-4-6-14(17)12(10)8-13(15)16(19)20-2/h4-8,11H,3,9,18H2,1-2H3/t11-/m1/s1
InChIKeyLNMZAUMPJRKPKD-LLVKDONJSA-N
MW291.32 g/mol
LogP2.88
Rot. Bonds5

About methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate

methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate (PubChem CID 155730769) has the molecular formula C16H18FNO3 and a molecular weight of 291.32 g/mol. Its IUPAC name is methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate
PubChem CID155730769
Molecular FormulaC16H18FNO3
Molecular Weight291.32 g/mol
Exact Mass291.13
IUPAC Namemethyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate
SMILESCC[C@H](CN)Oc1cc2cccc(F)c2cc1C(=O)OC
InChIInChI=1S/C16H18FNO3/c1-3-11(9-18)21-15-7-10-5-4-6-14(17)12(10)8-13(15)16(19)20-2/h4-8,11H,3,9,18H2,1-2H3/t11-/m1/s1
InChIKeyLNMZAUMPJRKPKD-LLVKDONJSA-N
XLogP2.88
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate?
The IUPAC name of methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate (CID 155730769) is methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate.
What is the SMILES notation for methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate?
The canonical SMILES for methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate is CC[C@H](CN)Oc1cc2cccc(F)c2cc1C(=O)OC.
What is the InChIKey of methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate?
The InChIKey is LNMZAUMPJRKPKD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18FNO3/c1-3-11(9-18)21-15-7-10-5-4-6-14(17)12(10)8-13(15)16(19)20-2/h4-8,11H,3,9,18H2,1-2H3/t11-/m1/s1.
What are the key properties of methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate?
methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate has a molecular weight of 291.32 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2R)-1-aminobutan-2-yl]oxy-8-fluoronaphthalene-2-carboxylate is sourced from PubChem (CID 155730769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).