tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate

C15H23NO3 — CID 167241012

IUPACtert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate
SMILESCc1ccc(C[C@](C)(N)C(=O)OC(C)(C)C)cc1O
InChIInChI=1S/C15H23NO3/c1-10-6-7-11(8-12(10)17)9-15(5,16)13(18)19-14(2,3)4/h6-8,17H,9,16H2,1-5H3/t15-/m0/s1
InChIKeyIFJUCPMPHWMMPL-HNNXBMFYSA-N
MW265.35 g/mol
LogP2.30
Rot. Bonds3

About tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate

tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate (PubChem CID 167241012) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate
PubChem CID167241012
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Nametert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate
SMILESCc1ccc(C[C@](C)(N)C(=O)OC(C)(C)C)cc1O
InChIInChI=1S/C15H23NO3/c1-10-6-7-11(8-12(10)17)9-15(5,16)13(18)19-14(2,3)4/h6-8,17H,9,16H2,1-5H3/t15-/m0/s1
InChIKeyIFJUCPMPHWMMPL-HNNXBMFYSA-N
XLogP2.30
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate?
The IUPAC name of tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate (CID 167241012) is tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate.
What is the SMILES notation for tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate?
The canonical SMILES for tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate is Cc1ccc(C[C@](C)(N)C(=O)OC(C)(C)C)cc1O.
What is the InChIKey of tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate?
The InChIKey is IFJUCPMPHWMMPL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-10-6-7-11(8-12(10)17)9-15(5,16)13(18)19-14(2,3)4/h6-8,17H,9,16H2,1-5H3/t15-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate?
tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-3-(3-hydroxy-4-methylphenyl)-2-methylpropanoate is sourced from PubChem (CID 167241012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).