3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid

C13H17NO5 — CID 112739190

IUPAC3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid
SMILESCOc1cccc(C(=O)NCCOCCC(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-18-11-4-2-3-10(9-11)13(17)14-6-8-19-7-5-12(15)16/h2-4,9H,5-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyLUUAHKKHOUIGHD-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.92
Rot. Bonds8

About 3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid

3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid (PubChem CID 112739190) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid
PubChem CID112739190
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid
SMILESCOc1cccc(C(=O)NCCOCCC(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-18-11-4-2-3-10(9-11)13(17)14-6-8-19-7-5-12(15)16/h2-4,9H,5-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyLUUAHKKHOUIGHD-UHFFFAOYSA-N
XLogP0.92
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 115699494
3-methoxy-N-[3-[(3-methoxybenzoyl)amino]propyl]benzamide
CID 2167030
3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
CID 119177030
3-methoxy-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108539227
N-[2-(2,6-dimethylphenoxy)ethyl]-3-methoxybenzamide
CID 113100732
3-methoxy-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 7761263
3-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
3-methoxy-N-[2-[(4-phenylbenzoyl)amino]ethyl]benzamide
CID 40718395
3-methoxy-N-[2-[(2-phenylacetyl)amino]ethyl]benzamide
CID 40718391
N-(3-hydroxy-3-phenylpropyl)-3-methoxybenzamide
CID 90499517
N-[2-[(3-methoxybenzoyl)amino]ethyl]-3,4-dimethylbenzamide
CID 108539237

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid (CID 112739190) is 3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid is COc1cccc(C(=O)NCCOCCC(=O)O)c1.
What is the InChIKey of 3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid?
The InChIKey is LUUAHKKHOUIGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-18-11-4-2-3-10(9-11)13(17)14-6-8-19-7-5-12(15)16/h2-4,9H,5-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid?
3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid has a molecular weight of 267.28 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid is sourced from PubChem (CID 112739190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).