methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate

C14H21NO4 — CID 104644811

IUPACmethyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO4/c1-10(11-5-7-12(18-3)8-6-11)15-9-14(2,17)13(16)19-4/h5-8,10,15,17H,9H2,1-4H3/t10-,14?/m0/s1
InChIKeyCPKBKBBEQIQTBN-XLLULAGJSA-N
MW267.32 g/mol
LogP1.27
Rot. Bonds6

About methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate

methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate (PubChem CID 104644811) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate
PubChem CID104644811
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN[C@@H](C)c1ccc(OC)cc1
InChIInChI=1S/C14H21NO4/c1-10(11-5-7-12(18-3)8-6-11)15-9-14(2,17)13(16)19-4/h5-8,10,15,17H,9H2,1-4H3/t10-,14?/m0/s1
InChIKeyCPKBKBBEQIQTBN-XLLULAGJSA-N
XLogP1.27
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-hydroxy-2-methyl-3-(1-phenylethylamino)propanoate
CID 104643578
3-[1-(4-methoxyphenyl)ethylamino]-2,2-dimethylpropanoic acid
CID 79623366
4-methoxy-1-[1-(4-methoxyphenyl)ethylamino]-2-methylbutan-2-ol
CID 103784299
methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 104644838
methyl 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoate
CID 104644821
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79559232
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 113262472
2-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-N-methylacetamide
CID 81371329
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134
methyl 3-[1-(4-methoxyphenyl)ethylamino]-2-methylpropanoate
CID 66244071
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 113436567
N-[1-(4-methoxyphenyl)ethyl]-2,2-dimethylpropanamide
CID 17330111

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate (CID 104644811) is methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate is COC(=O)C(C)(O)CN[C@@H](C)c1ccc(OC)cc1.
What is the InChIKey of methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate?
The InChIKey is CPKBKBBEQIQTBN-XLLULAGJSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(11-5-7-12(18-3)8-6-11)15-9-14(2,17)13(16)19-4/h5-8,10,15,17H,9H2,1-4H3/t10-,14?/m0/s1.
What are the key properties of methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate?
methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate has a molecular weight of 267.32 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-methylpropanoate is sourced from PubChem (CID 104644811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).