methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate

C14H21NO3 — CID 81387774

IUPACmethyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN[C@H](C)c1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-10(14(16)18-4)9-15-11(2)12-7-5-6-8-13(12)17-3/h5-8,10-11,15H,9H2,1-4H3/t10?,11-/m1/s1
InChIKeyXIQFTVBMTMEGGL-RRKGBCIJSA-N
MW251.33 g/mol
LogP2.15
Rot. Bonds6

About methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate

methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate (PubChem CID 81387774) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
PubChem CID81387774
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Namemethyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)CN[C@H](C)c1ccccc1OC
InChIInChI=1S/C14H21NO3/c1-10(14(16)18-4)9-15-11(2)12-7-5-6-8-13(12)17-3/h5-8,10-11,15H,9H2,1-4H3/t10?,11-/m1/s1
InChIKeyXIQFTVBMTMEGGL-RRKGBCIJSA-N
XLogP2.15
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
2-amino-3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanamide
CID 103257726
2-acetamido-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]propanoic acid
CID 81387678
methyl 3-(2-methoxyanilino)-2-methylpropanoate
CID 43538383
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81387138
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
4-[1-(2-methoxyphenyl)ethylamino]-3-methylbutan-1-ol
CID 66092261
methyl (2S)-2-(2-methoxyphenyl)propanoate
CID 12867082
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-phenylpropan-1-amine
CID 81397712
(2R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-2-methylsulfanylpropan-1-amine
CID 97107440
2-[1-(2-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214134

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate (CID 81387774) is methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate is COC(=O)C(C)CN[C@H](C)c1ccccc1OC.
What is the InChIKey of methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate?
The InChIKey is XIQFTVBMTMEGGL-RRKGBCIJSA-N. The full InChI is InChI=1S/C14H21NO3/c1-10(14(16)18-4)9-15-11(2)12-7-5-6-8-13(12)17-3/h5-8,10-11,15H,9H2,1-4H3/t10?,11-/m1/s1.
What are the key properties of methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate?
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate has a molecular weight of 251.33 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate is sourced from PubChem (CID 81387774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).