2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid

C15H19NO6 — CID 94718590

IUPAC2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
SMILESCOc1cc(C(=O)N(CC(=O)O)C2CC2)cc(OC)c1OC
InChIInChI=1S/C15H19NO6/c1-20-11-6-9(7-12(21-2)14(11)22-3)15(19)16(8-13(17)18)10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyZIRJJYWSIIPLDS-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.40
Rot. Bonds7

About 2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid

2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid (PubChem CID 94718590) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
PubChem CID94718590
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
SMILESCOc1cc(C(=O)N(CC(=O)O)C2CC2)cc(OC)c1OC
InChIInChI=1S/C15H19NO6/c1-20-11-6-9(7-12(21-2)14(11)22-3)15(19)16(8-13(17)18)10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyZIRJJYWSIIPLDS-UHFFFAOYSA-N
XLogP1.40
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-chloro-4-ethoxy-5-methoxybenzoyl)-cyclopropylamino]acetic acid
CID 119195213
2-[(3-bromo-5-methoxy-4-propoxybenzoyl)-cyclopropylamino]acetic acid
CID 119194756
N-cyclopropyl-N-(2-hydroxyethyl)-3,4,5-trimethoxybenzamide
CID 43576979
2-[cyclopropyl-(3,5-dimethoxybenzoyl)amino]acetic acid
CID 60825353
N-(cyanomethyl)-N-cyclopropyl-3,4,5-trimethoxybenzamide
CID 47796126
2-[2-hydroxyethyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 71370887
2-[cyclopropyl-(2,5-dimethoxybenzoyl)amino]acetic acid
CID 60826114
N-cyclopropyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzamide
CID 113095969
2-[butan-2-yl-(3,4,5-trimethoxybenzoyl)amino]acetic acid
CID 119955341
3,4,5-trimethoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530647
N-cyclopropyl-N-(1H-indol-5-ylmethyl)-3,4,5-trimethoxybenzamide
CID 39313525
2-[(4-cyclopentyloxy-3-methoxybenzoyl)-(oxan-4-yl)amino]acetic acid
CID 126775681

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid (CID 94718590) is 2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid is COc1cc(C(=O)N(CC(=O)O)C2CC2)cc(OC)c1OC.
What is the InChIKey of 2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid?
The InChIKey is ZIRJJYWSIIPLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6/c1-20-11-6-9(7-12(21-2)14(11)22-3)15(19)16(8-13(17)18)10-4-5-10/h6-7,10H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid?
2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid has a molecular weight of 309.32 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-(3,4,5-trimethoxybenzoyl)amino]acetic acid is sourced from PubChem (CID 94718590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).