methyl 2-amino-4-(4-methoxyphenoxy)butanoate

C12H17NO4 — CID 63041427

IUPACmethyl 2-amino-4-(4-methoxyphenoxy)butanoate
SMILESCOC(=O)C(N)CCOc1ccc(OC)cc1
InChIInChI=1S/C12H17NO4/c1-15-9-3-5-10(6-4-9)17-8-7-11(13)12(14)16-2/h3-6,11H,7-8,13H2,1-2H3
InChIKeyFMTLNFNVYORJNK-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.96
Rot. Bonds6

About methyl 2-amino-4-(4-methoxyphenoxy)butanoate

methyl 2-amino-4-(4-methoxyphenoxy)butanoate (PubChem CID 63041427) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-amino-4-(4-methoxyphenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(4-methoxyphenoxy)butanoate
PubChem CID63041427
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Namemethyl 2-amino-4-(4-methoxyphenoxy)butanoate
SMILESCOC(=O)C(N)CCOc1ccc(OC)cc1
InChIInChI=1S/C12H17NO4/c1-15-9-3-5-10(6-4-9)17-8-7-11(13)12(14)16-2/h3-6,11H,7-8,13H2,1-2H3
InChIKeyFMTLNFNVYORJNK-UHFFFAOYSA-N
XLogP0.96
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-4-naphthalen-2-yloxybutanoate
CID 63041604
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
methyl 2-amino-4-(3,5-dimethylphenoxy)butanoate
CID 63041209
methyl 2-acetamido-4-(4-methoxyphenoxy)butanoate
CID 102432999
methyl 2-amino-4-[4-(4-pyridin-4-ylpiperazin-1-yl)phenoxy]butanoate
CID 18918214
ethyl 2-amino-4-(4-methylphenoxy)butanoate
CID 63041349
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl (2S)-2-amino-3-(4-chlorophenoxy)propanoate
CID 99737689
methyl 2-amino-3-[5-[(4-methoxyphenoxy)methyl]furan-2-yl]propanoate
CID 170883905
methyl 2-amino-4-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]butanoate
CID 63039322
methyl 2-bromo-3-(4-methoxyphenoxy)propanoate
CID 81091606
methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate
CID 117242247

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(4-methoxyphenoxy)butanoate?
The IUPAC name of methyl 2-amino-4-(4-methoxyphenoxy)butanoate (CID 63041427) is methyl 2-amino-4-(4-methoxyphenoxy)butanoate.
What is the SMILES notation for methyl 2-amino-4-(4-methoxyphenoxy)butanoate?
The canonical SMILES for methyl 2-amino-4-(4-methoxyphenoxy)butanoate is COC(=O)C(N)CCOc1ccc(OC)cc1.
What is the InChIKey of methyl 2-amino-4-(4-methoxyphenoxy)butanoate?
The InChIKey is FMTLNFNVYORJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-15-9-3-5-10(6-4-9)17-8-7-11(13)12(14)16-2/h3-6,11H,7-8,13H2,1-2H3.
What are the key properties of methyl 2-amino-4-(4-methoxyphenoxy)butanoate?
methyl 2-amino-4-(4-methoxyphenoxy)butanoate has a molecular weight of 239.27 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(4-methoxyphenoxy)butanoate is sourced from PubChem (CID 63041427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).