2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid

C14H19NO6 — CID 119171700

IUPAC2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
SMILESCOc1ccc(CCC(=O)NCC(=O)O)c(OC)c1OC
InChIInChI=1S/C14H19NO6/c1-19-10-6-4-9(13(20-2)14(10)21-3)5-7-11(16)15-8-12(17)18/h4,6H,5,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGXMZGPFSKWNORH-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.85
Rot. Bonds8

About 2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid

2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid (PubChem CID 119171700) has the molecular formula C14H19NO6 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
PubChem CID119171700
Molecular FormulaC14H19NO6
Molecular Weight297.31 g/mol
Exact Mass297.12
IUPAC Name2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid
SMILESCOc1ccc(CCC(=O)NCC(=O)O)c(OC)c1OC
InChIInChI=1S/C14H19NO6/c1-19-10-6-4-9(13(20-2)14(10)21-3)5-7-11(16)15-8-12(17)18/h4,6H,5,7-8H2,1-3H3,(H,15,16)(H,17,18)
InChIKeyGXMZGPFSKWNORH-UHFFFAOYSA-N
XLogP0.85
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119630582
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-[(3,5-dimethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55870487
N-(2-phenoxyethyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55882512
2-[3-(5-chloro-2-methoxyphenyl)propanoylamino]acetic acid
CID 82043100
3-phenyl-N-[(2,3,4-trimethoxyphenyl)methyl]propanamide
CID 46587581
N-(3-amino-2-methylpropyl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 119997065
N-(2-amino-2-ethylbutyl)-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119643835
N-[(4-phenylmethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55871682
3-(2,3-dimethoxyphenyl)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 9481076
N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
CID 18425632
N-[[4-[2-(ethylamino)-2-oxoethoxy]-3-methoxyphenyl]methyl]-3-(2,3,4-trimethoxyphenyl)propanamide
CID 55881030

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid (CID 119171700) is 2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid is COc1ccc(CCC(=O)NCC(=O)O)c(OC)c1OC.
What is the InChIKey of 2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid?
The InChIKey is GXMZGPFSKWNORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO6/c1-19-10-6-4-9(13(20-2)14(10)21-3)5-7-11(16)15-8-12(17)18/h4,6H,5,7-8H2,1-3H3,(H,15,16)(H,17,18).
What are the key properties of 2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid?
2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid has a molecular weight of 297.31 g/mol, XLogP of 0.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,3,4-trimethoxyphenyl)propanoylamino]acetic acid is sourced from PubChem (CID 119171700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).