2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid

C16H22N2O6 — CID 120518167

IUPAC2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
SMILESCOc1ccc(C(=O)NCC(=O)N(CC(=O)O)C(C)C)cc1OC
InChIInChI=1S/C16H22N2O6/c1-10(2)18(9-15(20)21)14(19)8-17-16(22)11-5-6-12(23-3)13(7-11)24-4/h5-7,10H,8-9H2,1-4H3,(H,17,22)(H,20,21)
InChIKeyTYHRJJRDHXVJEG-UHFFFAOYSA-N
MW338.36 g/mol
LogP0.76
Rot. Bonds8

About 2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid

2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid (PubChem CID 120518167) has the molecular formula C16H22N2O6 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
PubChem CID120518167
Molecular FormulaC16H22N2O6
Molecular Weight338.36 g/mol
Exact Mass338.15
IUPAC Name2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
SMILESCOc1ccc(C(=O)NCC(=O)N(CC(=O)O)C(C)C)cc1OC
InChIInChI=1S/C16H22N2O6/c1-10(2)18(9-15(20)21)14(19)8-17-16(22)11-5-6-12(23-3)13(7-11)24-4/h5-7,10H,8-9H2,1-4H3,(H,17,22)(H,20,21)
InChIKeyTYHRJJRDHXVJEG-UHFFFAOYSA-N
XLogP0.76
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]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

3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]propanoic acid
CID 120519938
3,4-dimethoxy-N-[2-[1-(2-methoxyphenyl)ethyl-methylamino]-2-oxoethyl]benzamide
CID 55580515
2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-methylamino]-2-methylpropanoic acid
CID 120518643
2-[[2-[(2-ethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid
CID 120518304
2-[(4-fluoro-3-methoxybenzoyl)-propan-2-ylamino]acetic acid
CID 81283432
2-[[4-(2-amino-2-oxoethoxy)-3-methoxybenzoyl]-butan-2-ylamino]acetic acid
CID 119954727
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
3,4-dimethoxy-N-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl]benzamide
CID 31239710
2-[butan-2-yl-[4-(difluoromethoxy)-3-methoxybenzoyl]amino]acetic acid
CID 119954510
N-benzyl-3,4-dimethoxy-N-propan-2-ylbenzamide
CID 807482
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
1-cyanoethyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 18206879

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid?
The IUPAC name of 2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid (CID 120518167) is 2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid.
What is the SMILES notation for 2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid?
The canonical SMILES for 2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid is COc1ccc(C(=O)NCC(=O)N(CC(=O)O)C(C)C)cc1OC.
What is the InChIKey of 2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid?
The InChIKey is TYHRJJRDHXVJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O6/c1-10(2)18(9-15(20)21)14(19)8-17-16(22)11-5-6-12(23-3)13(7-11)24-4/h5-7,10H,8-9H2,1-4H3,(H,17,22)(H,20,21).
What are the key properties of 2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid?
2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid has a molecular weight of 338.36 g/mol, XLogP of 0.76, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]-propan-2-ylamino]acetic acid is sourced from PubChem (CID 120518167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).