(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate

C20H22NO6- — CID 7045097

IUPAC(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate
SMILESCOc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H23NO6/c1-13-4-7-15(8-5-13)27-12-19(22)21-16(11-20(23)24)14-6-9-17(25-2)18(10-14)26-3/h4-10,16H,11-12H2,1-3H3,(H,21,22)(H,23,24)/p-1/t16-/m0/s1
InChIKeyJQCVNOVDPXPNES-INIZCTEOSA-M
MW372.40 g/mol
LogP1.39
Rot. Bonds9

About (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate

(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate (PubChem CID 7045097) has the molecular formula C20H22NO6- and a molecular weight of 372.40 g/mol. Its IUPAC name is (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate.

Molecular Properties

Compound Name(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate
PubChem CID7045097
Molecular FormulaC20H22NO6-
Molecular Weight372.40 g/mol
Exact Mass372.15
IUPAC Name(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate
SMILESCOc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(C)cc2)cc1OC
InChIInChI=1S/C20H23NO6/c1-13-4-7-15(8-5-13)27-12-19(22)21-16(11-20(23)24)14-6-9-17(25-2)18(10-14)26-3/h4-10,16H,11-12H2,1-3H3,(H,21,22)(H,23,24)/p-1/t16-/m0/s1
InChIKeyJQCVNOVDPXPNES-INIZCTEOSA-M
XLogP1.39
TPSA96.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate with MolForge

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Related Compounds

3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 3511694
N-[bis(3,4-dimethoxyphenyl)methyl]-2-(4-methylphenoxy)acetamide;hydrochloride
CID 18774569
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 40856382
(3S)-3-(3,4-dimethoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 6926087
3-[[2-(4-cyanophenoxy)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 45432859
3-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]-3-[(2-phenylacetyl)amino]propanoate
CID 3465786
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
CID 132653917
(3S)-3-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 7045094
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 8910299
(3R)-3-(4-tert-butylphenyl)-3-[[2-(4-methoxyphenoxy)acetyl]amino]propanoate
CID 7045013
3-(4-ethoxy-3-methoxyphenyl)-3-[(2-phenylacetyl)amino]propanoate
CID 3466163
(3R)-3-(4-methylphenyl)-3-[(2-phenoxyacetyl)amino]propanoic acid
CID 9429721

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate?
The IUPAC name of (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate (CID 7045097) is (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate.
What is the SMILES notation for (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate?
The canonical SMILES for (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate is COc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccc(C)cc2)cc1OC.
What is the InChIKey of (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate?
The InChIKey is JQCVNOVDPXPNES-INIZCTEOSA-M. The full InChI is InChI=1S/C20H23NO6/c1-13-4-7-15(8-5-13)27-12-19(22)21-16(11-20(23)24)14-6-9-17(25-2)18(10-14)26-3/h4-10,16H,11-12H2,1-3H3,(H,21,22)(H,23,24)/p-1/t16-/m0/s1.
What are the key properties of (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate?
(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate has a molecular weight of 372.40 g/mol, XLogP of 1.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate is sourced from PubChem (CID 7045097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).