methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate

C13H19NO3 — CID 81396743

IUPACmethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
SMILESCOC(=O)C(C)N[C@H](C)c1ccccc1OC
InChIInChI=1S/C13H19NO3/c1-9(14-10(2)13(15)17-4)11-7-5-6-8-12(11)16-3/h5-10,14H,1-4H3/t9-,10?/m1/s1
InChIKeyASJYZPFYPRZIFP-YHMJZVADSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds5

About methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate

methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate (PubChem CID 81396743) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
PubChem CID81396743
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Namemethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
SMILESCOC(=O)C(C)N[C@H](C)c1ccccc1OC
InChIInChI=1S/C13H19NO3/c1-9(14-10(2)13(15)17-4)11-7-5-6-8-12(11)16-3/h5-10,14H,1-4H3/t9-,10?/m1/s1
InChIKeyASJYZPFYPRZIFP-YHMJZVADSA-N
XLogP1.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81387523
methyl (2S)-2-[1-(2-fluorophenyl)ethylamino]propanoate
CID 43225088
methyl 2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]propanoate
CID 81380721
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
methyl 2-[1-(2-methoxyphenyl)ethylamino]-3-methylpentanoate
CID 43732354
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774
2-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-N-prop-2-enylpropanamide
CID 81387842
methyl 3-(2-methoxyphenyl)-2-methylbutanoate
CID 121339404
2-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]propanamide
CID 81387938
2-amino-N-[1-(2-methoxyphenyl)ethyl]propanamide
CID 60718632

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate?
The IUPAC name of methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate (CID 81396743) is methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate.
What is the SMILES notation for methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate?
The canonical SMILES for methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate is COC(=O)C(C)N[C@H](C)c1ccccc1OC.
What is the InChIKey of methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate?
The InChIKey is ASJYZPFYPRZIFP-YHMJZVADSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9(14-10(2)13(15)17-4)11-7-5-6-8-12(11)16-3/h5-10,14H,1-4H3/t9-,10?/m1/s1.
What are the key properties of methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate?
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate is sourced from PubChem (CID 81396743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).