ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate

C15H23NO3 — CID 63039988

IUPACethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate
SMILESCCOC(=O)C(N)CCOc1c(C)cc(C)cc1C
InChIInChI=1S/C15H23NO3/c1-5-18-15(17)13(16)6-7-19-14-11(3)8-10(2)9-12(14)4/h8-9,13H,5-7,16H2,1-4H3
InChIKeyPZZLDEMVRZAWOJ-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.27
Rot. Bonds6

About ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate

ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate (PubChem CID 63039988) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate
PubChem CID63039988
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate
SMILESCCOC(=O)C(N)CCOc1c(C)cc(C)cc1C
InChIInChI=1S/C15H23NO3/c1-5-18-15(17)13(16)6-7-19-14-11(3)8-10(2)9-12(14)4/h8-9,13H,5-7,16H2,1-4H3
InChIKeyPZZLDEMVRZAWOJ-UHFFFAOYSA-N
XLogP2.27
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

diethyl 2-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]propanedioate
CID 2266460
ethyl 2-amino-4-(4-methylphenoxy)butanoate
CID 63041349
dimethyl (2S,3R)-2,3-bis[2-(2,4,6-trimethylphenoxy)ethyl]butanedioate
CID 59749621
diethyl 2-[2-[2-(4-chloro-2,6-dimethylphenoxy)ethoxy]ethyl]propanedioate
CID 5347945
1-amino-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 64821908
3-amino-3-(2-ethoxy-3,5-dimethylphenyl)propanoic acid
CID 4023553
ethyl 2-amino-4-(2-fluoro-3-methylphenoxy)butanoate
CID 107660550
ethyl (2S)-2-amino-4-ethoxybutanoate
CID 22839428
methyl 2-amino-4-(3,5-dimethylphenoxy)butanoate
CID 63041209
ethyl 2-amino-4-(5-methyl-2-nitrophenoxy)butanoate
CID 63041279
1-propyl-3-[2-(2,4,6-trimethylphenoxy)ethyl]urea
CID 112974537
2-phenyl-4-(2,4,6-trimethylphenoxy)butanoic acid
CID 82136541

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate?
The IUPAC name of ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate (CID 63039988) is ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate.
What is the SMILES notation for ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate?
The canonical SMILES for ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate is CCOC(=O)C(N)CCOc1c(C)cc(C)cc1C.
What is the InChIKey of ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate?
The InChIKey is PZZLDEMVRZAWOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-18-15(17)13(16)6-7-19-14-11(3)8-10(2)9-12(14)4/h8-9,13H,5-7,16H2,1-4H3.
What are the key properties of ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate?
ethyl 2-amino-4-(2,4,6-trimethylphenoxy)butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.27, 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-(2,4,6-trimethylphenoxy)butanoate is sourced from PubChem (CID 63039988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).