methyl 2-amino-4-naphthalen-2-yloxybutanoate

C15H17NO3 — CID 63041604

IUPACmethyl 2-amino-4-naphthalen-2-yloxybutanoate
SMILESCOC(=O)C(N)CCOc1ccc2ccccc2c1
InChIInChI=1S/C15H17NO3/c1-18-15(17)14(16)8-9-19-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14H,8-9,16H2,1H3
InChIKeyQAMNEQKHPHXFMP-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.11
Rot. Bonds5

About methyl 2-amino-4-naphthalen-2-yloxybutanoate

methyl 2-amino-4-naphthalen-2-yloxybutanoate (PubChem CID 63041604) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is methyl 2-amino-4-naphthalen-2-yloxybutanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-naphthalen-2-yloxybutanoate
PubChem CID63041604
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Namemethyl 2-amino-4-naphthalen-2-yloxybutanoate
SMILESCOC(=O)C(N)CCOc1ccc2ccccc2c1
InChIInChI=1S/C15H17NO3/c1-18-15(17)14(16)8-9-19-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14H,8-9,16H2,1H3
InChIKeyQAMNEQKHPHXFMP-UHFFFAOYSA-N
XLogP2.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(methylamino)-4-naphthalen-2-yloxybutanoate
CID 63041601
methyl 2-amino-4-(4-methoxyphenoxy)butanoate
CID 63041427
3-(2-naphthalen-2-yloxyethyl)pentane-2,4-dione
CID 10707168
methyl 2-amino-4-(3,5-dimethylphenoxy)butanoate
CID 63041209
2-methyl-5-naphthalen-2-yloxypentanamide
CID 142457986
3-amino-N-(2-naphthalen-2-yloxyethyl)butanamide
CID 119694969
2-amino-4-(2-naphthalen-2-yloxyethylsulfanyl)butanoic acid
CID 60929137
2-amino-3-(2-naphthalen-2-yloxyethylsulfanyl)propanoic acid
CID 43427140
2-amino-4-naphthalen-2-yloxybutanenitrile
CID 55143146
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
CID 58761521
CID 58761521
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(4-naphthalen-2-yloxybutyl)propanamide
CID 91386192

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-naphthalen-2-yloxybutanoate?
The IUPAC name of methyl 2-amino-4-naphthalen-2-yloxybutanoate (CID 63041604) is methyl 2-amino-4-naphthalen-2-yloxybutanoate.
What is the SMILES notation for methyl 2-amino-4-naphthalen-2-yloxybutanoate?
The canonical SMILES for methyl 2-amino-4-naphthalen-2-yloxybutanoate is COC(=O)C(N)CCOc1ccc2ccccc2c1.
What is the InChIKey of methyl 2-amino-4-naphthalen-2-yloxybutanoate?
The InChIKey is QAMNEQKHPHXFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-18-15(17)14(16)8-9-19-13-7-6-11-4-2-3-5-12(11)10-13/h2-7,10,14H,8-9,16H2,1H3.
What are the key properties of methyl 2-amino-4-naphthalen-2-yloxybutanoate?
methyl 2-amino-4-naphthalen-2-yloxybutanoate has a molecular weight of 259.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-naphthalen-2-yloxybutanoate is sourced from PubChem (CID 63041604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).