2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid

C15H20N2O6 — CID 119220498

IUPAC2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid
SMILESCOCCOCCC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C15H20N2O6/c1-22-8-9-23-7-6-13(18)17-12-4-2-11(3-5-12)15(21)16-10-14(19)20/h2-5H,6-10H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyIAGNNTAYXPTMBQ-UHFFFAOYSA-N
MW324.33 g/mol
LogP0.49
Rot. Bonds10

About 2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid

2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid (PubChem CID 119220498) has the molecular formula C15H20N2O6 and a molecular weight of 324.33 g/mol. Its IUPAC name is 2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid
PubChem CID119220498
Molecular FormulaC15H20N2O6
Molecular Weight324.33 g/mol
Exact Mass324.13
IUPAC Name2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid
SMILESCOCCOCCC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1
InChIInChI=1S/C15H20N2O6/c1-22-8-9-23-7-6-13(18)17-12-4-2-11(3-5-12)15(21)16-10-14(19)20/h2-5H,6-10H2,1H3,(H,16,21)(H,17,18)(H,19,20)
InChIKeyIAGNNTAYXPTMBQ-UHFFFAOYSA-N
XLogP0.49
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-[(4-acetamidobenzoyl)amino]acetyl]amino]acetic acid
CID 43465277
2-[[4-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]amino]acetic acid
CID 119220461
N,N'-bis[4-(2-methoxyethylcarbamoyl)phenyl]hexanediamide
CID 17218594
4-(butanoylamino)-N-(2-methoxyethyl)benzamide
CID 4265355
N,N'-bis[4-(3-methoxypropylcarbamoyl)phenyl]pentanediamide
CID 17205407
2-[[4-[(5-oxo-5-phenylpentanoyl)amino]benzoyl]amino]acetic acid
CID 108796240
2-[[4-(3-cyclobutylpropanoylamino)benzoyl]amino]acetic acid
CID 120522605
2-[[4-(dimethylcarbamoylamino)benzoyl]amino]acetic acid
CID 61196082
4-acetamido-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 134029617
methyl 4-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]benzoate
CID 112999938
3-[4-(ethylcarbamoyl)anilino]-3-oxopropanoic acid
CID 55049118
2-[[4-(4-cyclopentylbutanoylamino)benzoyl]amino]acetic acid
CID 119220510

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid?
The IUPAC name of 2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid (CID 119220498) is 2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid is COCCOCCC(=O)Nc1ccc(C(=O)NCC(=O)O)cc1.
What is the InChIKey of 2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid?
The InChIKey is IAGNNTAYXPTMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O6/c1-22-8-9-23-7-6-13(18)17-12-4-2-11(3-5-12)15(21)16-10-14(19)20/h2-5H,6-10H2,1H3,(H,16,21)(H,17,18)(H,19,20).
What are the key properties of 2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid?
2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid has a molecular weight of 324.33 g/mol, XLogP of 0.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[3-(2-methoxyethoxy)propanoylamino]benzoyl]amino]acetic acid is sourced from PubChem (CID 119220498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).