3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid

C14H20F2N2O2 — CID 82320001

IUPAC3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O2/c1-17(2)7-3-8-18(9-6-14(19)20)13-10-11(15)4-5-12(13)16/h4-5,10H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyCTWQMIYABPYCAL-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.20
Rot. Bonds8

About 3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid

3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid (PubChem CID 82320001) has the molecular formula C14H20F2N2O2 and a molecular weight of 286.32 g/mol. Its IUPAC name is 3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid.

Molecular Properties

Compound Name3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid
PubChem CID82320001
Molecular FormulaC14H20F2N2O2
Molecular Weight286.32 g/mol
Exact Mass286.15
IUPAC Name3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)c1cc(F)ccc1F
InChIInChI=1S/C14H20F2N2O2/c1-17(2)7-3-8-18(9-6-14(19)20)13-10-11(15)4-5-12(13)16/h4-5,10H,3,6-9H2,1-2H3,(H,19,20)
InChIKeyCTWQMIYABPYCAL-UHFFFAOYSA-N
XLogP2.20
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[N-[3-(dimethylamino)propyl]-2,4-difluoroanilino]propanoic acid
CID 82320002
3-[N-[3-(dimethylamino)propyl]-4-fluoroanilino]propanoic acid
CID 82319968
3-[2,5-difluoro-N-(2-methylprop-2-enyl)anilino]propanoic acid
CID 82319613
3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 114525625
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
3-[N-[3-(dimethylamino)propyl]-4-ethylanilino]propanoic acid
CID 82319981
3-(N-butyl-2-fluoroanilino)propanoic acid
CID 82317948
3-[2,5-dichloro-N-[2-(dimethylamino)ethyl]anilino]propanoic acid
CID 82319825
4-[N-(2-carboxyethyl)-3,4-difluoroanilino]butanoic acid
CID 82320137
3-[2,5-difluoro-N-(3-methylbutyl)anilino]-2-methylpropanoic acid
CID 82319216
4-(2,5-difluorophenyl)-4-(dimethylamino)butanoic acid
CID 82386520
3-[4-acetyl-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319957

Frequently Asked Questions

What is the IUPAC name of 3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid?
The IUPAC name of 3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid (CID 82320001) is 3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid.
What is the SMILES notation for 3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid?
The canonical SMILES for 3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid is CN(C)CCCN(CCC(=O)O)c1cc(F)ccc1F.
What is the InChIKey of 3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid?
The InChIKey is CTWQMIYABPYCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O2/c1-17(2)7-3-8-18(9-6-14(19)20)13-10-11(15)4-5-12(13)16/h4-5,10H,3,6-9H2,1-2H3,(H,19,20).
What are the key properties of 3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid?
3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid has a molecular weight of 286.32 g/mol, XLogP of 2.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid is sourced from PubChem (CID 82320001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).