ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate

C15H23NO3 — CID 82351880

IUPACethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate
SMILESCCOC(=O)CC(N)Cc1cc(C)cc(C)c1OC
InChIInChI=1S/C15H23NO3/c1-5-19-14(17)9-13(16)8-12-7-10(2)6-11(3)15(12)18-4/h6-7,13H,5,8-9,16H2,1-4H3
InChIKeyXNVVXQNPIMPFFW-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.14
Rot. Bonds6

About ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate

ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate (PubChem CID 82351880) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate.

Molecular Properties

Compound Nameethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate
PubChem CID82351880
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nameethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate
SMILESCCOC(=O)CC(N)Cc1cc(C)cc(C)c1OC
InChIInChI=1S/C15H23NO3/c1-5-19-14(17)9-13(16)8-12-7-10(2)6-11(3)15(12)18-4/h6-7,13H,5,8-9,16H2,1-4H3
InChIKeyXNVVXQNPIMPFFW-UHFFFAOYSA-N
XLogP2.14
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 ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,2-dimethylpropyl)-2-methoxy-3,5-dimethylbenzene;ethyl propanoate
CID 144875458
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
ethane;1-ethyl-2-methoxy-3,5-dimethylbenzene
CID 169219679
methyl 3-amino-4-(2-methoxy-5-methylphenyl)butanoate
CID 82351379
ethyl 2-(3-bromo-2-methoxy-5-methylphenyl)acetate
CID 13360648
ethyl 2-[3-(bromomethyl)-2-methoxy-5-methylphenyl]acetate
CID 171018242
ethyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 59009740
methyl 3-amino-4-(4-ethoxy-2,5-dimethylphenyl)butanoate
CID 82351673
3-(2-methoxy-3,5-dimethylphenyl)-2-methylpropane-1-thiol
CID 83941900
4-(2-methoxy-3,5-dimethylphenyl)-3-(2-methoxyethylamino)butanoic acid
CID 82350914
ethyl 2-chloro-2-(2-methoxy-3,5-dimethylphenyl)acetate
CID 116863130
1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1-methylurea
CID 115168389

Frequently Asked Questions

What is the IUPAC name of ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate?
The IUPAC name of ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate (CID 82351880) is ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate.
What is the SMILES notation for ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate?
The canonical SMILES for ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate is CCOC(=O)CC(N)Cc1cc(C)cc(C)c1OC.
What is the InChIKey of ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate?
The InChIKey is XNVVXQNPIMPFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-5-19-14(17)9-13(16)8-12-7-10(2)6-11(3)15(12)18-4/h6-7,13H,5,8-9,16H2,1-4H3.
What are the key properties of ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate?
ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate has a molecular weight of 265.35 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-amino-4-(2-methoxy-3,5-dimethylphenyl)butanoate is sourced from PubChem (CID 82351880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).