2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid

C15H20FN3O4 — CID 72842259

IUPAC2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid
SMILESCN(C)C(C(=O)NCCC(=O)NCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O4/c1-19(2)14(10-3-5-11(16)6-4-10)15(23)17-8-7-12(20)18-9-13(21)22/h3-6,14H,7-9H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)
InChIKeyGBYZVEXXNAOGJB-UHFFFAOYSA-N
MW325.34 g/mol
LogP0.14
Rot. Bonds8

About 2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid

2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid (PubChem CID 72842259) has the molecular formula C15H20FN3O4 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid
PubChem CID72842259
Molecular FormulaC15H20FN3O4
Molecular Weight325.34 g/mol
Exact Mass325.14
IUPAC Name2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid
SMILESCN(C)C(C(=O)NCCC(=O)NCC(=O)O)c1ccc(F)cc1
InChIInChI=1S/C15H20FN3O4/c1-19(2)14(10-3-5-11(16)6-4-10)15(23)17-8-7-12(20)18-9-13(21)22/h3-6,14H,7-9H2,1-2H3,(H,17,23)(H,18,20)(H,21,22)
InChIKeyGBYZVEXXNAOGJB-UHFFFAOYSA-N
XLogP0.14
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 97197887
2-(dimethylamino)-2-(4-fluorophenyl)-N-(3-hydroxy-2,2-dimethylpropyl)acetamide
CID 72839369
4-[[(2R)-2-(dimethylamino)-2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 97269726
2-(dimethylamino)-N-[3-(4-fluorophenoxy)propyl]-2-phenylacetamide
CID 110627301
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]acetamide
CID 97200798
(2S)-2-(dimethylamino)-N-[[1-(dimethylamino)cycloheptyl]methyl]-2-(4-fluorophenyl)acetamide
CID 97190654
(2R)-N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 97207810
N-[2-(4-chloropyrazol-1-yl)ethyl]-2-(dimethylamino)-2-(4-fluorophenyl)acetamide
CID 72908654
2-(dimethylamino)-2-(4-fluorophenyl)-N-[1-(hydroxymethyl)cyclopentyl]acetamide
CID 72892390
2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 72886848
4-[[[(2R)-2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]methyl]cyclohexane-1-carboxamide
CID 98348179
(2R)-2-(dimethylamino)-2-(4-fluorophenyl)-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]acetamide
CID 97207538

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid?
The IUPAC name of 2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid (CID 72842259) is 2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid?
The canonical SMILES for 2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid is CN(C)C(C(=O)NCCC(=O)NCC(=O)O)c1ccc(F)cc1.
What is the InChIKey of 2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid?
The InChIKey is GBYZVEXXNAOGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O4/c1-19(2)14(10-3-5-11(16)6-4-10)15(23)17-8-7-12(20)18-9-13(21)22/h3-6,14H,7-9H2,1-2H3,(H,17,23)(H,18,20)(H,21,22).
What are the key properties of 2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid?
2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid has a molecular weight of 325.34 g/mol, XLogP of 0.14, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(dimethylamino)-2-(4-fluorophenyl)acetyl]amino]propanoylamino]acetic acid is sourced from PubChem (CID 72842259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).