methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate

C15H21NO4 — CID 70465858

IUPACmethyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C(OC)c1c(C)cccc1C
InChIInChI=1S/C15H21NO4/c1-9-7-6-8-10(2)12(9)13(19-4)14(17)16-11(3)15(18)20-5/h6-8,11,13H,1-5H3,(H,16,17)/t11-,13?/m0/s1
InChIKeyXFFDYOFZQNKFON-AMGKYWFPSA-N
MW279.34 g/mol
LogP1.67
Rot. Bonds5

About methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate

methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate (PubChem CID 70465858) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate
PubChem CID70465858
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namemethyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate
SMILESCOC(=O)[C@H](C)NC(=O)C(OC)c1c(C)cccc1C
InChIInChI=1S/C15H21NO4/c1-9-7-6-8-10(2)12(9)13(19-4)14(17)16-11(3)15(18)20-5/h6-8,11,13H,1-5H3,(H,16,17)/t11-,13?/m0/s1
InChIKeyXFFDYOFZQNKFON-AMGKYWFPSA-N
XLogP1.67
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,6-dimethylphenyl)-1-methoxypropan-2-one
CID 83224357
methyl 2-[3-(2-methylphenyl)prop-2-enoylamino]propanoate
CID 60637866
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130673957
methyl 2-amino-2-(2-chloro-6-methylphenyl)acetate
CID 130059706
methyl (2S)-2-amino-2-(2-chloro-6-methylphenyl)acetate;hydrochloride
CID 171210746
(2S)-2-[(2-methoxy-2-phenylacetyl)amino]propanoic acid
CID 78986376
methyl (2S)-2-[[(2R)-2-bromo-2-(4-methylphenyl)acetyl]amino]propanoate
CID 15432216
methyl (2S)-2-benzamidopropanoate
CID 6364617
methyl (2S)-2-[(3-amino-2-methyl-3-phenylpropanoyl)amino]propanoate;hydrochloride
CID 119772930
methyl 2-amino-5-(2,6-dimethylphenyl)-4-methylhexanoate
CID 174498182
methyl 2-(2-chloropropanoylamino)propanoate
CID 60780321
methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate?
The IUPAC name of methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate (CID 70465858) is methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate.
What is the SMILES notation for methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate?
The canonical SMILES for methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate is COC(=O)[C@H](C)NC(=O)C(OC)c1c(C)cccc1C.
What is the InChIKey of methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate?
The InChIKey is XFFDYOFZQNKFON-AMGKYWFPSA-N. The full InChI is InChI=1S/C15H21NO4/c1-9-7-6-8-10(2)12(9)13(19-4)14(17)16-11(3)15(18)20-5/h6-8,11,13H,1-5H3,(H,16,17)/t11-,13?/m0/s1.
What are the key properties of methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate?
methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate has a molecular weight of 279.34 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[[2-(2,6-dimethylphenyl)-2-methoxyacetyl]amino]propanoate is sourced from PubChem (CID 70465858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).