2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid

C15H20N2O5 — CID 120520387

IUPAC2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid
SMILESCCOc1ccc(C(=O)NCC(=O)N(C)C(C)C(=O)O)cc1
InChIInChI=1S/C15H20N2O5/c1-4-22-12-7-5-11(6-8-12)14(19)16-9-13(18)17(3)10(2)15(20)21/h5-8,10H,4,9H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyYSHNMSMZHHDWEZ-UHFFFAOYSA-N
MW308.33 g/mol
LogP0.75
Rot. Bonds7

About 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid

2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid (PubChem CID 120520387) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid
PubChem CID120520387
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid
SMILESCCOc1ccc(C(=O)NCC(=O)N(C)C(C)C(=O)O)cc1
InChIInChI=1S/C15H20N2O5/c1-4-22-12-7-5-11(6-8-12)14(19)16-9-13(18)17(3)10(2)15(20)21/h5-8,10H,4,9H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyYSHNMSMZHHDWEZ-UHFFFAOYSA-N
XLogP0.75
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[(4-bromobenzoyl)amino]acetyl]-methylamino]propanoic acid
CID 62627271
4-ethoxy-N-[2-[methyl(2-methylpropyl)amino]-2-oxoethyl]benzamide
CID 134058778
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]propanoic acid
CID 120523615
N-[(2R)-butan-2-yl]-4-ethoxybenzamide
CID 721844
4-[[[2-[(4-ethoxybenzoyl)amino]acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
CID 55636040
4-ethoxy-N-[2-(heptan-2-ylamino)-2-oxoethyl]benzamide
CID 46603352
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 55320179
N-[2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl]-4-methylbenzamide
CID 24546571
4-ethoxy-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 17349908
4-ethoxy-N-[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]benzamide
CID 51162813
4-ethoxy-N-[2-[[2-(4-methoxyanilino)-2-oxoethyl]-methylamino]-2-oxoethyl]benzamide
CID 9438552
[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7703332

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid (CID 120520387) is 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid is CCOc1ccc(C(=O)NCC(=O)N(C)C(C)C(=O)O)cc1.
What is the InChIKey of 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid?
The InChIKey is YSHNMSMZHHDWEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-4-22-12-7-5-11(6-8-12)14(19)16-9-13(18)17(3)10(2)15(20)21/h5-8,10H,4,9H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid?
2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid has a molecular weight of 308.33 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-ethoxybenzoyl)amino]acetyl]-methylamino]propanoic acid is sourced from PubChem (CID 120520387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).