ethyl 2-amino-4-(4-methylphenoxy)butanoate

C13H19NO3 — CID 63041349

IUPACethyl 2-amino-4-(4-methylphenoxy)butanoate
SMILESCCOC(=O)C(N)CCOc1ccc(C)cc1
InChIInChI=1S/C13H19NO3/c1-3-16-13(15)12(14)8-9-17-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9,14H2,1-2H3
InChIKeyUHZVTOBUORFZQF-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.65
Rot. Bonds6

About ethyl 2-amino-4-(4-methylphenoxy)butanoate

ethyl 2-amino-4-(4-methylphenoxy)butanoate (PubChem CID 63041349) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-methylphenoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-methylphenoxy)butanoate
PubChem CID63041349
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-amino-4-(4-methylphenoxy)butanoate
SMILESCCOC(=O)C(N)CCOc1ccc(C)cc1
InChIInChI=1S/C13H19NO3/c1-3-16-13(15)12(14)8-9-17-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9,14H2,1-2H3
InChIKeyUHZVTOBUORFZQF-UHFFFAOYSA-N
XLogP1.65
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-amino-4-(4-methylphenoxy)butanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-amino-4-(4-nitrophenoxy)butanoate
CID 63039415
ethyl 2-amino-4-(2-phenoxyethoxy)butanoate
CID 63039473
ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate
CID 63039988
methyl 2-amino-4-(4-methoxyphenoxy)butanoate
CID 63041427
ethyl 2-amino-4-(5-methyl-2-nitrophenoxy)butanoate
CID 63041279
methyl 4-(4-methylphenoxy)-2-(propan-2-ylamino)butanoate
CID 55142996
ethyl 2-(4-heptoxyphenyl)-2-(4-methylphenyl)acetate
CID 54086655
methyl 2-(ethylamino)-4-(4-methylphenoxy)butanoate
CID 63040222
diethyl 2-[3-(4-chlorophenoxy)propyl]propanedioate
CID 2232654
ethyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660550
ethyl 2-amino-4-[2-(hydroxymethyl)phenoxy]butanoate
CID 55246185
(2R)-2-amino-4-[2-(4-methylphenoxy)ethylamino]butanoic acid
CID 166106849

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-methylphenoxy)butanoate?
The IUPAC name of ethyl 2-amino-4-(4-methylphenoxy)butanoate (CID 63041349) is ethyl 2-amino-4-(4-methylphenoxy)butanoate.
What is the SMILES notation for ethyl 2-amino-4-(4-methylphenoxy)butanoate?
The canonical SMILES for ethyl 2-amino-4-(4-methylphenoxy)butanoate is CCOC(=O)C(N)CCOc1ccc(C)cc1.
What is the InChIKey of ethyl 2-amino-4-(4-methylphenoxy)butanoate?
The InChIKey is UHZVTOBUORFZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-16-13(15)12(14)8-9-17-11-6-4-10(2)5-7-11/h4-7,12H,3,8-9,14H2,1-2H3.
What are the key properties of ethyl 2-amino-4-(4-methylphenoxy)butanoate?
ethyl 2-amino-4-(4-methylphenoxy)butanoate has a molecular weight of 237.30 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-(4-methylphenoxy)butanoate is sourced from PubChem (CID 63041349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).