2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid

C16H23NO6 — CID 119189335

IUPAC2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H23NO6/c1-21-7-6-17(11-16(19)20)15(18)5-4-12-8-13(22-2)10-14(9-12)23-3/h8-10H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyWGQIUTCLSLWBDQ-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.20
Rot. Bonds10

About 2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid

2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid (PubChem CID 119189335) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
PubChem CID119189335
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Name2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)C(=O)CCc1cc(OC)cc(OC)c1
InChIInChI=1S/C16H23NO6/c1-21-7-6-17(11-16(19)20)15(18)5-4-12-8-13(22-2)10-14(9-12)23-3/h8-10H,4-7,11H2,1-3H3,(H,19,20)
InChIKeyWGQIUTCLSLWBDQ-UHFFFAOYSA-N
XLogP1.20
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(4-bromophenyl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119348164
2-[2-methoxyethyl-[3-(3-nitrophenyl)propanoyl]amino]acetic acid
CID 119348154
2-[(3,5-dimethoxyphenyl)methyl-(3-thiophen-3-ylpropanoyl)amino]acetic acid
CID 119197524
2-[(3,5-dimethoxyphenyl)methyl-(4-phenylbutanoyl)amino]acetic acid
CID 119197642
2-[3-(4-bromothiophen-2-yl)propanoyl-(2-methoxyethyl)amino]acetic acid
CID 119188912
2-[(3,5-dimethoxyphenyl)methyl-[3-(1,3-thiazol-2-yl)propanoyl]amino]acetic acid
CID 119197724
2-[(3,5-dimethoxyphenyl)methyl-pent-4-enoylamino]acetic acid
CID 119197558
2-[(3,5-dimethoxyphenyl)methyl-[3-(1H-indol-5-yl)propanoyl]amino]acetic acid
CID 120518080
8-(3,5-dimethoxyphenyl)octanoic acid
CID 14427818
N-(3-aminopropyl)-N-benzyl-3-(3,5-dimethoxyphenyl)propanamide
CID 120648289
2-[2-methoxyethyl-[3-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119348002
2-[[5-(dimethylamino)-5-oxopentanoyl]-(2-methoxyethyl)amino]acetic acid
CID 119189683

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid?
The IUPAC name of 2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid (CID 119189335) is 2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid.
What is the SMILES notation for 2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid?
The canonical SMILES for 2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid is COCCN(CC(=O)O)C(=O)CCc1cc(OC)cc(OC)c1.
What is the InChIKey of 2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid?
The InChIKey is WGQIUTCLSLWBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6/c1-21-7-6-17(11-16(19)20)15(18)5-4-12-8-13(22-2)10-14(9-12)23-3/h8-10H,4-7,11H2,1-3H3,(H,19,20).
What are the key properties of 2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid?
2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid has a molecular weight of 325.36 g/mol, XLogP of 1.20, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethoxyphenyl)propanoyl-(2-methoxyethyl)amino]acetic acid is sourced from PubChem (CID 119189335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).