methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate

C15H23NO3 — CID 112519692

IUPACmethyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
SMILESCOC(=O)C(N)Cc1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C15H23NO3/c1-9(2)12-7-11(8-13(16)15(17)19-5)10(3)6-14(12)18-4/h6-7,9,13H,8,16H2,1-5H3
InChIKeyRTKLKDNECZVSOL-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.17
Rot. Bonds5

About methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate

methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate (PubChem CID 112519692) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
PubChem CID112519692
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate
SMILESCOC(=O)C(N)Cc1cc(C(C)C)c(OC)cc1C
InChIInChI=1S/C15H23NO3/c1-9(2)12-7-11(8-13(16)15(17)19-5)10(3)6-14(12)18-4/h6-7,9,13H,8,16H2,1-5H3
InChIKeyRTKLKDNECZVSOL-UHFFFAOYSA-N
XLogP2.17
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 ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-3-methylbutanoic acid
CID 116926751
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
2-amino-3-(5-chloro-4-methoxy-2-methylphenyl)propanehydrazide
CID 116848615
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-propan-2-ylpropan-2-amine
CID 112513604
3-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanehydrazide
CID 116848764
2-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-methylbutan-1-amine
CID 116931077
2-amino-3-(4-methoxy-2,5-dimethylphenyl)-N-methylpropanamide
CID 116850512
N-(cyanomethyl)-2-(4-methoxy-2-methyl-5-propan-2-ylphenyl)acetamide
CID 96665573
methyl 2-amino-4-(4,5-dimethoxy-2-methylphenyl)butanoate
CID 116851497
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
methyl N-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-N-methylcarbamate
CID 115190466
1-N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-2-methylpropane-1,2-diamine
CID 115135884

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate?
The IUPAC name of methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate (CID 112519692) is methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate.
What is the SMILES notation for methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate?
The canonical SMILES for methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate is COC(=O)C(N)Cc1cc(C(C)C)c(OC)cc1C.
What is the InChIKey of methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate?
The InChIKey is RTKLKDNECZVSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-9(2)12-7-11(8-13(16)15(17)19-5)10(3)6-14(12)18-4/h6-7,9,13H,8,16H2,1-5H3.
What are the key properties of methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate?
methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(4-methoxy-2-methyl-5-propan-2-ylphenyl)propanoate is sourced from PubChem (CID 112519692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).