tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate

C15H23NO3 — CID 142193799

IUPACtert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate
SMILESCOc1ccc(CCC(=O)OC(C)(C)C)c(CN)c1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(17)8-6-11-5-7-13(18-4)9-12(11)10-16/h5,7,9H,6,8,10,16H2,1-4H3
InChIKeyZBWSZNOHSYPEDT-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.43
Rot. Bonds5

About tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate

tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate (PubChem CID 142193799) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate
PubChem CID142193799
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate
SMILESCOc1ccc(CCC(=O)OC(C)(C)C)c(CN)c1
InChIInChI=1S/C15H23NO3/c1-15(2,3)19-14(17)8-6-11-5-7-13(18-4)9-12(11)10-16/h5,7,9H,6,8,10,16H2,1-4H3
InChIKeyZBWSZNOHSYPEDT-UHFFFAOYSA-N
XLogP2.43
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate 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

tert-butyl 3-(4-methoxyphenyl)propanoate
CID 63896650
tert-butyl 3-[2-hydroxy-4-(methoxymethoxy)phenyl]propanoate
CID 139988184
(2-ethyl-4-methoxyphenyl)methanamine;hydrochloride
CID 146082087
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
4-[2-methoxy-5-[4-[(2-methylpropan-2-yl)oxy]-4-oxobutoxy]phenyl]butanoic acid
CID 168842386
2-trimethylsilylethyl 5-hydroxy-2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]benzoate
CID 58979178
ethyl 3-(2-bromo-5-methoxyphenyl)propanoate
CID 15662339
tert-butyl 3-(2-fluoro-5-methoxyanilino)propanoate
CID 103257490
dimethyl 2-[[2-(aminomethyl)-4-methoxyphenyl]methyl]butanedioate
CID 54445606
1-(2,5-dimethoxyphenyl)-4,4-dimethylpentan-3-one
CID 64503606
tert-butyl 3-[5-amino-2-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]phenyl]propanoate
CID 19598037
tert-butyl 3-[4-(N'-hydroxycarbamimidoyl)-2-methylphenyl]propanoate
CID 86623613

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate?
The IUPAC name of tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate (CID 142193799) is tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate.
What is the SMILES notation for tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate?
The canonical SMILES for tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate is COc1ccc(CCC(=O)OC(C)(C)C)c(CN)c1.
What is the InChIKey of tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate?
The InChIKey is ZBWSZNOHSYPEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-15(2,3)19-14(17)8-6-11-5-7-13(18-4)9-12(11)10-16/h5,7,9H,6,8,10,16H2,1-4H3.
What are the key properties of tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate?
tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-(aminomethyl)-4-methoxyphenyl]propanoate is sourced from PubChem (CID 142193799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).