methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate

C12H17NO3 — CID 10889521

IUPACmethyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
SMILESCN[C@H](Cc1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C12H17NO3/c1-13-11(12(14)16-3)8-9-4-6-10(15-2)7-5-9/h4-7,11,13H,8H2,1-3H3/t11-/m1/s1
InChIKeyGZSRMIFFYCWUHU-LLVKDONJSA-N
MW223.27 g/mol
LogP1.00
Rot. Bonds5

About methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate

methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate (PubChem CID 10889521) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
PubChem CID10889521
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Namemethyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate
SMILESCN[C@H](Cc1ccc(OC)cc1)C(=O)OC
InChIInChI=1S/C12H17NO3/c1-13-11(12(14)16-3)8-9-4-6-10(15-2)7-5-9/h4-7,11,13H,8H2,1-3H3/t11-/m1/s1
InChIKeyGZSRMIFFYCWUHU-LLVKDONJSA-N
XLogP1.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-2-(methylamino)propanamide
CID 19003692
methyl (2S)-2-(hydroxyamino)-3-(4-methoxyphenyl)propanoate
CID 10955237
methyl (2S)-2-acetamido-3-(4-methoxyphenyl)propanoate
CID 6950955
methyl (2R)-2-(2,2-dimethylpropanoylamino)-3-(4-methoxyphenyl)propanoate
CID 175334706
methyl 2-hydroxy-3-(4-methoxyphenyl)propanoate
CID 523519
1-(4-methoxyphenyl)-2-(methylamino)-3-phenylpropan-1-one
CID 153316064
methyl (2R)-2-(methylamino)-3-(4-nitrophenyl)propanoate
CID 134856926
methyl 2-amino-3-(4-methoxyphenyl)propanoate chloride
CID 162332781
methyl (2S)-3-(4-methoxyphenyl)-2-[[(2S)-2-[[(2S)-2-(4-methoxyphenyl)-2-(methylamino)acetyl]amino]propanoyl]amino]propanoate
CID 155019638
methyl (2R)-2-(but-3-ynylamino)-3-(4-methoxyphenyl)propanoate
CID 24938361
methyl 3-(4-chlorophenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 5010476
methyl 3-amino-2-[(4-methoxyphenyl)methyl]-3-oxopropanoate
CID 174993577

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate?
The IUPAC name of methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate (CID 10889521) is methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate.
What is the SMILES notation for methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate?
The canonical SMILES for methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate is CN[C@H](Cc1ccc(OC)cc1)C(=O)OC.
What is the InChIKey of methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate?
The InChIKey is GZSRMIFFYCWUHU-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13-11(12(14)16-3)8-9-4-6-10(15-2)7-5-9/h4-7,11,13H,8H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate?
methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate has a molecular weight of 223.27 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(4-methoxyphenyl)-2-(methylamino)propanoate is sourced from PubChem (CID 10889521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).