3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid

C15H22N2O3 — CID 82325130

IUPAC3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid
SMILESCN(C)CCN(CCC(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-16(2)10-11-17(9-8-15(19)20)14(18)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,19,20)
InChIKeyJQQHKDYHNIZSHU-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.09
Rot. Bonds8

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

3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid (PubChem CID 82325130) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid
PubChem CID82325130
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid
SMILESCN(C)CCN(CCC(=O)O)C(=O)Cc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-16(2)10-11-17(9-8-15(19)20)14(18)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,19,20)
InChIKeyJQQHKDYHNIZSHU-UHFFFAOYSA-N
XLogP1.09
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-hydroxypropyl-(2-phenylacetyl)amino]propanoic acid
CID 82325107
3-[pentyl-(2-phenylacetyl)amino]propanoic acid
CID 82325109
3-[2-acetamidoethyl-(2-phenylacetyl)amino]propanoic acid
CID 82325112
3-[2-carboxyethyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325169
3-[2-(dimethylamino)ethyl-(furan-2-carbonyl)amino]propanoic acid
CID 82324378
3-[(2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325321
N-(3-amino-3-sulfanylidenepropyl)-N-ethyl-2-phenylacetamide
CID 54988366
3-[butanoyl(2-phenylethyl)amino]propanoic acid
CID 82323377
N-benzyl-N-[2-(dimethylamino)ethyl]-3-oxobutanamide
CID 54876796
N-benzyl-N-[2-(dimethylamino)ethyl]-2-(methylamino)acetamide
CID 54869876
3-[butyl-[2-(4-fluorophenyl)acetyl]amino]propanoic acid
CID 82325163
3-[2-(dimethylamino)ethyl-(2-methoxyacetyl)amino]propanoic acid
CID 82325696

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid?
The IUPAC name of 3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid (CID 82325130) is 3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid?
The canonical SMILES for 3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid is CN(C)CCN(CCC(=O)O)C(=O)Cc1ccccc1.
What is the InChIKey of 3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid?
The InChIKey is JQQHKDYHNIZSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-16(2)10-11-17(9-8-15(19)20)14(18)12-13-6-4-3-5-7-13/h3-7H,8-12H2,1-2H3,(H,19,20).
What are the key properties of 3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid?
3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl-(2-phenylacetyl)amino]propanoic acid is sourced from PubChem (CID 82325130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).