3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid

C15H21FN2O3 — CID 82324770

IUPAC3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)C(=O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-17(2)9-5-10-18(11-8-14(19)20)15(21)12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-11H2,1-2H3,(H,19,20)
InChIKeyNHKIZPOIUMDXRT-UHFFFAOYSA-N
MW296.34 g/mol
LogP1.69
Rot. Bonds8

About 3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid

3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid (PubChem CID 82324770) has the molecular formula C15H21FN2O3 and a molecular weight of 296.34 g/mol. Its IUPAC name is 3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid
PubChem CID82324770
Molecular FormulaC15H21FN2O3
Molecular Weight296.34 g/mol
Exact Mass296.15
IUPAC Name3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)C(=O)c1ccccc1F
InChIInChI=1S/C15H21FN2O3/c1-17(2)9-5-10-18(11-8-14(19)20)15(21)12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-11H2,1-2H3,(H,19,20)
InChIKeyNHKIZPOIUMDXRT-UHFFFAOYSA-N
XLogP1.69
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.34
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-fluorobenzoyl)-(2-hydroxyethyl)amino]propanoic acid
CID 82324750
3-[carboxymethyl-(2-fluorobenzoyl)amino]propanoic acid
CID 82324752
3-[(2-chlorobenzoyl)-[2-(dimethylamino)ethyl]amino]propanoic acid
CID 82325321
N-(3-aminopropyl)-2-fluoro-N-propylbenzamide
CID 43136602
2-fluoro-N-(2-methoxyethyl)-N-(3-methoxypropyl)benzamide
CID 54915998
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
3-[cyclopropyl-(2-fluorobenzoyl)amino]propanoic acid
CID 54926357
3-[3-(dimethylamino)propyl-ethylamino]-1-(2-fluorophenyl)propan-1-one
CID 102997005
N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 55173242
3-[3-(dimethylamino)propyl-[(E)-3-phenylprop-2-enoyl]amino]propanoic acid
CID 82325965
3-[2-hydroxyethyl-(2-methylbenzoyl)amino]propanoic acid
CID 82324584
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid?
The IUPAC name of 3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid (CID 82324770) is 3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid.
What is the SMILES notation for 3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid?
The canonical SMILES for 3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid is CN(C)CCCN(CCC(=O)O)C(=O)c1ccccc1F.
What is the InChIKey of 3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid?
The InChIKey is NHKIZPOIUMDXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2O3/c1-17(2)9-5-10-18(11-8-14(19)20)15(21)12-6-3-4-7-13(12)16/h3-4,6-7H,5,8-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid?
3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid has a molecular weight of 296.34 g/mol, XLogP of 1.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)propyl-(2-fluorobenzoyl)amino]propanoic acid is sourced from PubChem (CID 82324770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).