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

C14H21NO4 — CID 104644838

IUPACmethyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN[C@@H](C)c1ccccc1OC
InChIInChI=1S/C14H21NO4/c1-10(11-7-5-6-8-12(11)18-3)15-9-14(2,17)13(16)19-4/h5-8,10,15,17H,9H2,1-4H3/t10-,14?/m0/s1
InChIKeyNDMBKNSWACZXAH-XLLULAGJSA-N
MW267.32 g/mol
LogP1.27
Rot. Bonds6

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

methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate (PubChem CID 104644838) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
PubChem CID104644838
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
SMILESCOC(=O)C(C)(O)CN[C@@H](C)c1ccccc1OC
InChIInChI=1S/C14H21NO4/c1-10(11-7-5-6-8-12(11)18-3)15-9-14(2,17)13(16)19-4/h5-8,10,15,17H,9H2,1-4H3/t10-,14?/m0/s1
InChIKeyNDMBKNSWACZXAH-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

1-[1-(2-methoxyphenyl)ethylamino]-2-methylpropan-2-ol
CID 63239100
methyl 2-hydroxy-2-methyl-3-(1-phenylethylamino)propanoate
CID 104643578
1-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2,3-dimethylbutan-2-ol
CID 104930543
N-[(1R)-1-(2-methoxyphenyl)ethyl]-2,2-dimethylpropan-1-amine
CID 81396737
1-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-phenylpropan-2-ol
CID 81389941
methyl (2R)-2-hydroxy-2-methyl-3-[[(1S)-2-methyl-1-(2-methylphenyl)propyl]amino]propanoate
CID 124890314
methyl 3-[1-(2,5-dimethylthiophen-3-yl)ethylamino]-2-hydroxy-2-methylpropanoate
CID 104644203
methyl 3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387841
methyl 3-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate
CID 81387774
methyl 3-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-hydroxy-2-methylpropanoate
CID 104644821
2-[1-(2-methoxyphenyl)ethylamino]-N,N-dimethylacetamide
CID 43214134
N-[2-[1-(2-methoxyphenyl)ethylamino]ethyl]-2-methylpropanamide
CID 43202951

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate?
The IUPAC name of methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate (CID 104644838) is methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate?
The canonical SMILES for methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate is COC(=O)C(C)(O)CN[C@@H](C)c1ccccc1OC.
What is the InChIKey of methyl 2-hydroxy-3-[[(1S)-1-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate?
The InChIKey is NDMBKNSWACZXAH-XLLULAGJSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(11-7-5-6-8-12(11)18-3)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-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate?
methyl 2-hydroxy-3-[[(1S)-1-(2-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-(2-methoxyphenyl)ethyl]amino]-2-methylpropanoate is sourced from PubChem (CID 104644838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).