3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid

C13H17NO5 — CID 119177030

IUPAC3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
SMILESCOCCOc1cccc(C(=O)NCCC(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-18-7-8-19-11-4-2-3-10(9-11)13(17)14-6-5-12(15)16/h2-4,9H,5-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyPKCKEDWNXQZTOM-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.92
Rot. Bonds8

About 3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid

3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid (PubChem CID 119177030) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
PubChem CID119177030
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid
SMILESCOCCOc1cccc(C(=O)NCCC(=O)O)c1
InChIInChI=1S/C13H17NO5/c1-18-7-8-19-11-4-2-3-10(9-11)13(17)14-6-5-12(15)16/h2-4,9H,5-8H2,1H3,(H,14,17)(H,15,16)
InChIKeyPKCKEDWNXQZTOM-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-[[3-(3-methoxypropoxy)benzoyl]amino]propanoic acid
CID 119177226
N-(2-aminoethyl)-3-(2-methoxyethoxy)benzamide
CID 119381991
2-[3-(2-methoxyethylcarbamoyl)phenoxy]acetic acid
CID 28762787
N-[2-(ethylamino)ethyl]-3-(2-methoxyethoxy)benzamide
CID 119504539
3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
N-(3-aminobutyl)-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119494749
3-(2-methoxyethoxy)-N-prop-2-ynylbenzamide
CID 60567441
3-[[3-(2-methoxyethoxy)benzoyl]amino]-2,2-dimethylpropanoic acid
CID 119249413
3-[2-[(3-methoxybenzoyl)amino]ethoxy]propanoic acid
CID 112739190
3-(3-methoxypropoxy)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500932
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[2-(4-aminophenyl)ethyl]-3-(2-methoxyethoxy)benzamide;hydrochloride
CID 119547417

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid (CID 119177030) is 3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid is COCCOc1cccc(C(=O)NCCC(=O)O)c1.
What is the InChIKey of 3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid?
The InChIKey is PKCKEDWNXQZTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5/c1-18-7-8-19-11-4-2-3-10(9-11)13(17)14-6-5-12(15)16/h2-4,9H,5-8H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 3-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid?
3-[[3-(2-methoxyethoxy)benzoyl]amino]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-[[3-(2-methoxyethoxy)benzoyl]amino]propanoic acid is sourced from PubChem (CID 119177030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).