3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid

C14H22N2O2 — CID 82319994

IUPAC3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-15(2)10-6-11-16(12-9-14(17)18)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,17,18)
InChIKeyHZXRTXCEBXVZAJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP1.92
Rot. Bonds8

About 3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid

3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid (PubChem CID 82319994) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
PubChem CID82319994
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C14H22N2O2/c1-15(2)10-6-11-16(12-9-14(17)18)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,17,18)
InChIKeyHZXRTXCEBXVZAJ-UHFFFAOYSA-N
XLogP1.92
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[N-[3-(dimethylamino)propyl]-4-fluoroanilino]propanoic acid
CID 82319968
3-[N-[3-(dimethylamino)propyl]-4-ethylanilino]propanoic acid
CID 82319981
3-[4-acetyl-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319957
3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
3-[N-[3-(dimethylamino)propyl]-4-ethoxyanilino]propanoic acid
CID 82319961
3-[4-butyl-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 95532524
3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 114525625
3-[N-(3-ethylsulfanylpropyl)anilino]propanoic acid
CID 113473905
methyl 3-[N-[2-(dimethylamino)ethyl]anilino]propanoate
CID 57083436
4-(N-ethylanilino)butanoic acid
CID 11390560
4-[N-(2-aminoethyl)anilino]butanoic acid
CID 63654603
3-[N-(2-butoxyethyl)anilino]propanoic acid
CID 61483721

Frequently Asked Questions

What is the IUPAC name of 3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid?
The IUPAC name of 3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid (CID 82319994) is 3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid.
What is the SMILES notation for 3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid?
The canonical SMILES for 3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid is CN(C)CCCN(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid?
The InChIKey is HZXRTXCEBXVZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-15(2)10-6-11-16(12-9-14(17)18)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3,(H,17,18).
What are the key properties of 3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid?
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid has a molecular weight of 250.34 g/mol, XLogP of 1.92, 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]anilino]propanoic acid is sourced from PubChem (CID 82319994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).