(3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate

C20H22NO7- — CID 7291138

IUPAC(3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate
SMILESCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO7/c1-25-14-7-5-12(6-8-14)15(11-18(22)23)21-20(24)13-9-16(26-2)19(28-4)17(10-13)27-3/h5-10,15H,11H2,1-4H3,(H,21,24)(H,22,23)/p-1/t15-/m0/s1
InChIKeyKJNLCHVJMMHBSW-HNNXBMFYSA-M
MW388.40 g/mol
LogP1.33
Rot. Bonds9

About (3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate

(3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate (PubChem CID 7291138) has the molecular formula C20H22NO7- and a molecular weight of 388.40 g/mol. Its IUPAC name is (3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate.

Molecular Properties

Compound Name(3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate
PubChem CID7291138
Molecular FormulaC20H22NO7-
Molecular Weight388.40 g/mol
Exact Mass388.14
IUPAC Name(3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate
SMILESCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1
InChIInChI=1S/C20H23NO7/c1-25-14-7-5-12(6-8-14)15(11-18(22)23)21-20(24)13-9-16(26-2)19(28-4)17(10-13)27-3/h5-10,15H,11H2,1-4H3,(H,21,24)(H,22,23)/p-1/t15-/m0/s1
InChIKeyKJNLCHVJMMHBSW-HNNXBMFYSA-M
XLogP1.33
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.40
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-3-[(3,4-dimethoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 6988874
3-[(4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 3455324
(3R)-3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291192
3-(4-propoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoic acid
CID 4182201
(3R)-3-(4-tert-butylphenyl)-3-[(2,4-dimethoxybenzoyl)amino]propanoate
CID 7343428
(3S)-3-(4-chlorophenyl)-3-[(3-methoxybenzoyl)amino]propanoate
CID 6926091
(3R)-3-[(2,4-dichlorobenzoyl)amino]-3-(4-methoxyphenyl)propanoate
CID 7291163
3,5-dichloro-4-methoxy-N-[1-(4-methoxyphenyl)propyl]benzamide
CID 24547698
3-[(3-bromo-4-methoxybenzoyl)amino]-3-(4-methoxyphenyl)propanoic acid
CID 4020032
N-[1-(4-fluorophenyl)-3,3-dimethylbutyl]-3,4,5-trimethoxybenzamide
CID 55751531
(3R)-3-[(3,4-dimethylbenzoyl)amino]-3-(4-propoxyphenyl)propanoate
CID 7044672
3-[(3-amino-4-methoxybenzoyl)amino]-3-phenylpropanoate
CID 18322927

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate?
The IUPAC name of (3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate (CID 7291138) is (3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate.
What is the SMILES notation for (3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate?
The canonical SMILES for (3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate is COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc(OC)c(OC)c(OC)c2)cc1.
What is the InChIKey of (3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate?
The InChIKey is KJNLCHVJMMHBSW-HNNXBMFYSA-M. The full InChI is InChI=1S/C20H23NO7/c1-25-14-7-5-12(6-8-14)15(11-18(22)23)21-20(24)13-9-16(26-2)19(28-4)17(10-13)27-3/h5-10,15H,11H2,1-4H3,(H,21,24)(H,22,23)/p-1/t15-/m0/s1.
What are the key properties of (3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate?
(3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate has a molecular weight of 388.40 g/mol, XLogP of 1.33, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-methoxyphenyl)-3-[(3,4,5-trimethoxybenzoyl)amino]propanoate is sourced from PubChem (CID 7291138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).