methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate

C15H23NO3 — CID 65106276

IUPACmethyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate
SMILESCCC(C)(O)CNCC(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-4-15(2,18)11-16-10-13(14(17)19-3)12-8-6-5-7-9-12/h5-9,13,16,18H,4,10-11H2,1-3H3
InChIKeyLIDJXSUASGPLOO-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.69
Rot. Bonds7

About methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate

methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate (PubChem CID 65106276) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate
PubChem CID65106276
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Namemethyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate
SMILESCCC(C)(O)CNCC(C(=O)OC)c1ccccc1
InChIInChI=1S/C15H23NO3/c1-4-15(2,18)11-16-10-13(14(17)19-3)12-8-6-5-7-9-12/h5-9,13,16,18H,4,10-11H2,1-3H3
InChIKeyLIDJXSUASGPLOO-UHFFFAOYSA-N
XLogP1.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoic acid
CID 65106380
methyl 3-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-phenylpropanoate
CID 106256464
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-phenylpropanoate
CID 106275985
methyl 3-[[2,2-dimethyl-3-(methylamino)-3-oxopropyl]amino]-2-phenylpropanoate
CID 106276941
3-amino-N-(2-hydroxy-2-methylbutyl)-2-phenylpropanamide
CID 65106056
3-[(2-hydroxy-2-methylpropyl)amino]-2-phenylpropanoic acid
CID 65107456
methyl 3-[2-(dimethylamino)ethylamino]-2-phenylpropanoate
CID 64565637
methyl 3-methylsulfonyl-2-phenylpropanoate
CID 64560571
methyl 3-(4-methoxybutylamino)-2-phenylpropanoate
CID 64560952
methyl (2R)-3-amino-2-phenylpropanoate
CID 7183129
methyl 3-(4-methylanilino)-2-phenylpropanoate
CID 64567482
methyl 3-[3-(dimethylamino)propylamino]-2-phenylpropanoate
CID 64567480

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate?
The IUPAC name of methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate (CID 65106276) is methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate.
What is the SMILES notation for methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate?
The canonical SMILES for methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate is CCC(C)(O)CNCC(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate?
The InChIKey is LIDJXSUASGPLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-15(2,18)11-16-10-13(14(17)19-3)12-8-6-5-7-9-12/h5-9,13,16,18H,4,10-11H2,1-3H3.
What are the key properties of methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate?
methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate has a molecular weight of 265.35 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-hydroxy-2-methylbutyl)amino]-2-phenylpropanoate is sourced from PubChem (CID 65106276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).