2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid

C15H21NO5 — CID 119358857

IUPAC2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid
SMILESCCOCCOc1ccccc1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C15H21NO5/c1-4-20-9-10-21-13-8-6-5-7-12(13)14(17)16(3)11(2)15(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
InChIKeySKPKUGHRAIGQEK-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.65
Rot. Bonds8

About 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid

2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid (PubChem CID 119358857) has the molecular formula C15H21NO5 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid
PubChem CID119358857
Molecular FormulaC15H21NO5
Molecular Weight295.34 g/mol
Exact Mass295.14
IUPAC Name2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid
SMILESCCOCCOc1ccccc1C(=O)N(C)C(C)C(=O)O
InChIInChI=1S/C15H21NO5/c1-4-20-9-10-21-13-8-6-5-7-12(13)14(17)16(3)11(2)15(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,18,19)
InChIKeySKPKUGHRAIGQEK-UHFFFAOYSA-N
XLogP1.65
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
CID 119227986
(2S)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]propanoic acid
CID 119237944
ethyl 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]acetate
CID 54785153
(2R)-2-[[2-(2-ethoxyethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119364108
N-(1-hydroxy-1-phenylpropan-2-yl)-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 54856797
2-[(2-chlorobenzoyl)-methylamino]propanoic acid
CID 62626876
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-[2-(3-methylbutoxy)ethoxy]benzoic acid
CID 43532277
2-[(2,6-dimethoxybenzoyl)-methylamino]propanoic acid
CID 55098642
2-[[5-bromo-2-(2-ethoxyethoxy)phenyl]methyl-methylamino]propanoic acid
CID 122036938
4-[[[2-(2-ethoxyethoxy)benzoyl]amino]methyl]benzoic acid
CID 119165428
2-[methyl(3-phenoxypropanoyl)amino]propanoic acid
CID 62626003

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid (CID 119358857) is 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid is CCOCCOc1ccccc1C(=O)N(C)C(C)C(=O)O.
What is the InChIKey of 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid?
The InChIKey is SKPKUGHRAIGQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-4-20-9-10-21-13-8-6-5-7-12(13)14(17)16(3)11(2)15(18)19/h5-8,11H,4,9-10H2,1-3H3,(H,18,19).
What are the key properties of 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid?
2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid has a molecular weight of 295.34 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-ethoxyethoxy)benzoyl]-methylamino]propanoic acid is sourced from PubChem (CID 119358857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).