3-[benzoyl(3-methoxypropyl)amino]propanoic acid

C14H19NO4 — CID 82324502

IUPAC3-[benzoyl(3-methoxypropyl)amino]propanoic acid
SMILESCOCCCN(CCC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-19-11-5-9-15(10-8-13(16)17)14(18)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,16,17)
InChIKeyAYQXYWWOOMJDCV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.64
Rot. Bonds8

About 3-[benzoyl(3-methoxypropyl)amino]propanoic acid

3-[benzoyl(3-methoxypropyl)amino]propanoic acid (PubChem CID 82324502) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[benzoyl(3-methoxypropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[benzoyl(3-methoxypropyl)amino]propanoic acid
PubChem CID82324502
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name3-[benzoyl(3-methoxypropyl)amino]propanoic acid
SMILESCOCCCN(CCC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO4/c1-19-11-5-9-15(10-8-13(16)17)14(18)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,16,17)
InChIKeyAYQXYWWOOMJDCV-UHFFFAOYSA-N
XLogP1.64
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-N-(2-methoxyethyl)benzamide
CID 115772786
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-methylbenzamide
CID 70804384
3-[2-methoxyethyl-(4-oxo-4-phenylbutanoyl)amino]propanoic acid
CID 75383603
N-(2-methoxyethyl)-N-(3-methoxypropyl)-4-sulfanylbenzamide
CID 107026123
3-hydroxy-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54989912
4-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981287
2-[[benzoyl(3-methoxypropyl)amino]methyl]-N-(3-methoxypropyl)-1,3-thiazole-4-carboxamide
CID 3277643
3-(chloromethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 60981417
3-[2-hydroxyethyl-(4-methoxybenzoyl)amino]propanoic acid
CID 82324969
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998
methyl 3-[benzoyl(2-methylpropyl)amino]propanoate
CID 60860018
3-[butyl(2-methoxyethyl)carbamoyl]benzoic acid
CID 120691896

Frequently Asked Questions

What is the IUPAC name of 3-[benzoyl(3-methoxypropyl)amino]propanoic acid?
The IUPAC name of 3-[benzoyl(3-methoxypropyl)amino]propanoic acid (CID 82324502) is 3-[benzoyl(3-methoxypropyl)amino]propanoic acid.
What is the SMILES notation for 3-[benzoyl(3-methoxypropyl)amino]propanoic acid?
The canonical SMILES for 3-[benzoyl(3-methoxypropyl)amino]propanoic acid is COCCCN(CCC(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 3-[benzoyl(3-methoxypropyl)amino]propanoic acid?
The InChIKey is AYQXYWWOOMJDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-11-5-9-15(10-8-13(16)17)14(18)12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,16,17).
What are the key properties of 3-[benzoyl(3-methoxypropyl)amino]propanoic acid?
3-[benzoyl(3-methoxypropyl)amino]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzoyl(3-methoxypropyl)amino]propanoic acid is sourced from PubChem (CID 82324502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).