methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium

C14H20NO3Y- — CID 147443623

IUPACmethyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium
SMILES[CH2-]COc1ccc(CC(C)(NC)C(=O)OC)cc1.[Y]
InChIInChI=1S/C14H20NO3.Y/c1-5-18-12-8-6-11(7-9-12)10-14(2,15-3)13(16)17-4;/h6-9,15H,1,5,10H2,2-4H3;/q-1;
InChIKeyHPTQUIBAWVIPOT-UHFFFAOYSA-N
MW339.22 g/mol
LogP1.59
Rot. Bonds6

About methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium

methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium (PubChem CID 147443623) has the molecular formula C14H20NO3Y- and a molecular weight of 339.22 g/mol. Its IUPAC name is methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium.

Molecular Properties

Compound Namemethyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium
PubChem CID147443623
Molecular FormulaC14H20NO3Y-
Molecular Weight339.22 g/mol
Exact Mass339.05
IUPAC Namemethyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium
SMILES[CH2-]COc1ccc(CC(C)(NC)C(=O)OC)cc1.[Y]
InChIInChI=1S/C14H20NO3.Y/c1-5-18-12-8-6-11(7-9-12)10-14(2,15-3)13(16)17-4;/h6-9,15H,1,5,10H2,2-4H3;/q-1;
InChIKeyHPTQUIBAWVIPOT-UHFFFAOYSA-N
XLogP1.59
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[4-(2-hydroxyethyl)phenoxy]-2-methyl-2-(methylamino)propanoate
CID 107709939
methyl 3-(4-ethoxyphenyl)-2,2-dimethylpropanoate
CID 116927544
methyl 4-(4-butylphenoxy)-2-methyl-2-(methylamino)butanoate
CID 115493155
methyl 4-[4-(hydroxymethyl)phenoxy]-2-methyl-2-(methylamino)pentanoate
CID 64708992
2-[(4-iodophenyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899572
methyl 2-methyl-2-(methylamino)-3-quinolin-7-yloxypropanoate
CID 107314668
4-[(2S)-3-methoxy-2-(methoxycarbonylamino)-2-methyl-3-oxopropyl]benzenesulfonic acid
CID 89039748
dimethyl 2-[(4-chlorophenoxy)methyl]-2-methylpropanedioate
CID 66921686
dimethyl 2-methoxy-2-[[4-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]ethoxy]phenyl]methyl]propanedioate
CID 68792352
1-(4-ethoxyphenyl)-N,2-dimethylpropan-2-amine
CID 94681273
(2S)-2-methyl-2-(methylamino)-3-phenylpropanoic acid;hydrochloride
CID 66988599
methyl 2,4,4-trimethyl-2-(methylamino)pentanoate
CID 134267857

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium?
The IUPAC name of methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium (CID 147443623) is methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium.
What is the SMILES notation for methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium?
The canonical SMILES for methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium is [CH2-]COc1ccc(CC(C)(NC)C(=O)OC)cc1.[Y].
What is the InChIKey of methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium?
The InChIKey is HPTQUIBAWVIPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20NO3.Y/c1-5-18-12-8-6-11(7-9-12)10-14(2,15-3)13(16)17-4;/h6-9,15H,1,5,10H2,2-4H3;/q-1;.
What are the key properties of methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium?
methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium has a molecular weight of 339.22 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-ethoxyphenyl)-2-methyl-2-(methylamino)propanoate;yttrium is sourced from PubChem (CID 147443623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).