3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid

C15H20N2O4 — CID 82325112

IUPAC3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid
SMILESCC(=O)NCCN(CCC(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-12(18)16-8-10-17(9-7-15(20)21)14(19)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,16,18)(H,20,21)
InChIKeyADGKAYXDMISAEP-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.67
Rot. Bonds8

About 3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid

3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid (PubChem CID 82325112) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid
PubChem CID82325112
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid
SMILESCC(=O)NCCN(CCC(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C15H20N2O4/c1-12(18)16-8-10-17(9-7-15(20)21)14(19)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,16,18)(H,20,21)
InChIKeyADGKAYXDMISAEP-UHFFFAOYSA-N
XLogP0.67
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid
CID 82325130
3-[pentyl-(2-phenylacetyl)amino]propanoic acid
CID 82325109
3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid
CID 82325107
3-[2-carboxyethyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325169
3-[2-acetamidoethyl(pyridine-3-carbonyl)amino]propanoic acid
CID 82325412
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
N-[2-[acetyl-[(4-methylphenyl)methyl]amino]ethyl]-2-phenylacetamide
CID 113054348
3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325163
2-acetamidoethyl 2-phenylacetate
CID 139889118
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54988366
N-[2-[bis(2-phenylacetyl)amino]ethyl]-2,2-diphenylacetamide
CID 22301107
N-[2-(dipropylamino)-2-oxoethyl]-2-phenylacetamide
CID 78784642

Frequently Asked Questions

What is the IUPAC name of 3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of 3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid (CID 82325112) is 3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for 3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid is CC(=O)NCCN(CCC(=O)O)C(=O)Cc1ccccc1.
What is the InChIKey of 3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid?
The InChIKey is ADGKAYXDMISAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-12(18)16-8-10-17(9-7-15(20)21)14(19)11-13-5-3-2-4-6-13/h2-6H,7-11H2,1H3,(H,16,18)(H,20,21).
What are the key properties of 3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid?
3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.67, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 82325112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).