2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid

C16H24N2O3 — CID 119359290

IUPAC2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid
SMILESCCN(CC)C(C(=O)N(C)C(C)C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-5-18(6-2)14(13-10-8-7-9-11-13)15(19)17(4)12(3)16(20)21/h7-12,14H,5-6H2,1-4H3,(H,20,21)
InChIKeySWCJPOXNYUBURU-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.00
Rot. Bonds7

About 2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid

2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid (PubChem CID 119359290) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid
PubChem CID119359290
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid
SMILESCCN(CC)C(C(=O)N(C)C(C)C(=O)O)c1ccccc1
InChIInChI=1S/C16H24N2O3/c1-5-18(6-2)14(13-10-8-7-9-11-13)15(19)17(4)12(3)16(20)21/h7-12,14H,5-6H2,1-4H3,(H,20,21)
InChIKeySWCJPOXNYUBURU-UHFFFAOYSA-N
XLogP2.00
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(diethylamino)-2-phenylacetic acid;hydrochloride
CID 66750067
2-[methyl-[(2S)-2-phenylpropanoyl]amino]propanoic acid
CID 120686581
2-[(2-ethoxy-2-phenylacetyl)-methylamino]propanoic acid
CID 119359065
2-[(3-amino-2-methyl-3-phenylpropanoyl)-methylamino]propanoic acid
CID 80552081
2-(diethylamino)-N-[(2-fluorophenyl)methyl]-N-methyl-2-phenylacetamide
CID 56545318
N-ethyl-N-(3-methyl-2-oxo-1-phenylbutyl)acetamide
CID 58403911
N-[(2S)-1-aminopropan-2-yl]-2-(diethylamino)-2-phenylacetamide;dihydrochloride
CID 120506976
2-[ethyl(2-ethylbutyl)amino]-2-phenylacetic acid
CID 61436697
2-[methyl(2-phenylsulfanylbutanoyl)amino]propanoic acid
CID 119359152
2-(diethylamino)-N-[(4-ethoxyphenyl)methyl]-N-methyl-2-phenylacetamide
CID 56546435
2-[ethyl(propan-2-yl)amino]-2-phenylacetic acid;hydrochloride
CID 164518114
2-propan-2-yloxyethyl 2-(diethylamino)-2-phenylacetate
CID 75420449

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid (CID 119359290) is 2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid is CCN(CC)C(C(=O)N(C)C(C)C(=O)O)c1ccccc1.
What is the InChIKey of 2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid?
The InChIKey is SWCJPOXNYUBURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-18(6-2)14(13-10-8-7-9-11-13)15(19)17(4)12(3)16(20)21/h7-12,14H,5-6H2,1-4H3,(H,20,21).
What are the key properties of 2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid?
2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(diethylamino)-2-phenylacetyl]-methylamino]propanoic acid is sourced from PubChem (CID 119359290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).