methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate

C15H23NO3 — CID 54895241

IUPACmethyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate
SMILESCOC(=O)C(C)(NCC(C)C)c1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-11(2)10-16-15(3,14(17)19-5)12-8-6-7-9-13(12)18-4/h6-9,11,16H,10H2,1-5H3
InChIKeyGLRCGWIWJBTTDD-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.33
Rot. Bonds6

About methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate

methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate (PubChem CID 54895241) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate
PubChem CID54895241
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate
SMILESCOC(=O)C(C)(NCC(C)C)c1ccccc1OC
InChIInChI=1S/C15H23NO3/c1-11(2)10-16-15(3,14(17)19-5)12-8-6-7-9-13(12)18-4/h6-9,11,16H,10H2,1-5H3
InChIKeyGLRCGWIWJBTTDD-UHFFFAOYSA-N
XLogP2.33
TPSA47.56 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-hydrazinyl-2-(2-methoxyphenyl)propanoate
CID 146328018
2-(2-ethoxyphenyl)-2-(2-methylpropylamino)propanoic acid
CID 61002876
methyl 2-anilino-2-(2-methoxyphenyl)propanoate
CID 60990815
methyl 2-(2,6-difluorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895287
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
2-(2-methoxyphenyl)-4-(2-methylpropylamino)butan-2-ol
CID 66002279
methyl 2-(4-chlorophenyl)-2-(2-methylpropylamino)propanoate
CID 54895289
2-(2,5-dimethoxyphenyl)-2-(2-methylpropylamino)propanamide
CID 60992136
methyl 2-(cyclohexylamino)-2-(2-methoxyphenyl)propanoate
CID 60997593
methyl 2-(2-methylpropylamino)-2-[3-(trifluoromethyl)phenyl]propanoate
CID 61002525
methyl 2-(2-methylpropylamino)-2-(4-propylphenyl)propanoate
CID 61001430
ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate?
The IUPAC name of methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate (CID 54895241) is methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate.
What is the SMILES notation for methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate?
The canonical SMILES for methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate is COC(=O)C(C)(NCC(C)C)c1ccccc1OC.
What is the InChIKey of methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate?
The InChIKey is GLRCGWIWJBTTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-11(2)10-16-15(3,14(17)19-5)12-8-6-7-9-13(12)18-4/h6-9,11,16H,10H2,1-5H3.
What are the key properties of methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate?
methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate has a molecular weight of 265.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxyphenyl)-2-(2-methylpropylamino)propanoate is sourced from PubChem (CID 54895241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).