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

C14H23N3O2 — CID 114525625

IUPAC3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)c1ccccc1N
InChIInChI=1S/C14H23N3O2/c1-16(2)9-5-10-17(11-8-14(18)19)13-7-4-3-6-12(13)15/h3-4,6-7H,5,8-11,15H2,1-2H3,(H,18,19)
InChIKeyRYXDAOINUGDXHT-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.50
Rot. Bonds8

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

3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid (PubChem CID 114525625) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid.

Molecular Properties

Compound Name3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid
PubChem CID114525625
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid
SMILESCN(C)CCCN(CCC(=O)O)c1ccccc1N
InChIInChI=1S/C14H23N3O2/c1-16(2)9-5-10-17(11-8-14(18)19)13-7-4-3-6-12(13)15/h3-4,6-7H,5,8-11,15H2,1-2H3,(H,18,19)
InChIKeyRYXDAOINUGDXHT-UHFFFAOYSA-N
XLogP1.50
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[2-amino-N-(3-hydroxypropyl)anilino]propanoic acid
CID 63118484
3-(2-amino-N-propylanilino)propanoic acid
CID 63118513
3-[2-amino-N-(5-hydroxypentyl)anilino]propanoic acid
CID 63118452
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
3-[2-amino-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]anilino]propanoic acid
CID 115942878
3-[N-[2-(dimethylamino)ethyl]-2-methylanilino]propanoic acid
CID 60839076
3-[N-[3-(dimethylamino)propyl]-2,5-difluoroanilino]propanoic acid
CID 82320001
3-(2-amino-N-[methyl(propan-2-yl)sulfamoyl]anilino)propanoic acid
CID 63118493
3-[N-[3-(dimethylamino)propyl]-2,4-difluoroanilino]propanoic acid
CID 82320002
2-[2-amino-N-[2-(dimethylamino)ethyl]anilino]ethanol
CID 18417773
3-[N-[3-(dimethylamino)propyl]-4-fluoroanilino]propanoic acid
CID 82319968
3-[2-cyano-N-[2-(dimethylamino)ethyl]anilino]propanoic acid
CID 82319824

Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid?
The IUPAC name of 3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid (CID 114525625) is 3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid.
What is the SMILES notation for 3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid?
The canonical SMILES for 3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid is CN(C)CCCN(CCC(=O)O)c1ccccc1N.
What is the InChIKey of 3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid?
The InChIKey is RYXDAOINUGDXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16(2)9-5-10-17(11-8-14(18)19)13-7-4-3-6-12(13)15/h3-4,6-7H,5,8-11,15H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid?
3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid has a molecular weight of 265.36 g/mol, XLogP of 1.50, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-N-[3-(dimethylamino)propyl]anilino]propanoic acid is sourced from PubChem (CID 114525625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).