3-[N-(3-aminopropyl)anilino]propanoic acid

C12H18N2O2 — CID 63654243

IUPAC3-[N-(3-aminopropyl)anilino]propanoic acid
SMILESNCCCN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c13-8-4-9-14(10-7-12(15)16)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,13H2,(H,15,16)
InChIKeyVQFYBXZNIPKBCP-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.32
Rot. Bonds7

About 3-[N-(3-aminopropyl)anilino]propanoic acid

3-[N-(3-aminopropyl)anilino]propanoic acid (PubChem CID 63654243) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-[N-(3-aminopropyl)anilino]propanoic acid.

Molecular Properties

Compound Name3-[N-(3-aminopropyl)anilino]propanoic acid
PubChem CID63654243
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name3-[N-(3-aminopropyl)anilino]propanoic acid
SMILESNCCCN(CCC(=O)O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c13-8-4-9-14(10-7-12(15)16)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,13H2,(H,15,16)
InChIKeyVQFYBXZNIPKBCP-UHFFFAOYSA-N
XLogP1.32
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[N-(2-aminoethyl)anilino]butanoic acid
CID 63654603
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
3-[N-(3-ethylsulfanylpropyl)anilino]propanoic acid
CID 113473905
6-[N-(3-aminopropyl)anilino]hexan-1-ol
CID 107702923
3-[N-(cyanomethyl)anilino]propanoic acid
CID 60839584
N'-phenyl-N'-(4-phenylbutyl)propane-1,3-diamine
CID 114333029
4-(N-ethylanilino)butanoic acid
CID 11390560
4-[N-(3-aminopropyl)anilino]-2-methylbutan-2-ol
CID 79359729
3-(N-butylanilino)propanamide
CID 63172183
3-[N-(3-aminopropylcarbamoyl)anilino]propanoic acid
CID 62275370
N'-(4-methylpentyl)-N'-phenylpropane-1,3-diamine
CID 83157179
3-[N-[(2,6-dichlorophenyl)methyl]anilino]propanoic acid
CID 60839248

Frequently Asked Questions

What is the IUPAC name of 3-[N-(3-aminopropyl)anilino]propanoic acid?
The IUPAC name of 3-[N-(3-aminopropyl)anilino]propanoic acid (CID 63654243) is 3-[N-(3-aminopropyl)anilino]propanoic acid.
What is the SMILES notation for 3-[N-(3-aminopropyl)anilino]propanoic acid?
The canonical SMILES for 3-[N-(3-aminopropyl)anilino]propanoic acid is NCCCN(CCC(=O)O)c1ccccc1.
What is the InChIKey of 3-[N-(3-aminopropyl)anilino]propanoic acid?
The InChIKey is VQFYBXZNIPKBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-8-4-9-14(10-7-12(15)16)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,13H2,(H,15,16).
What are the key properties of 3-[N-(3-aminopropyl)anilino]propanoic acid?
3-[N-(3-aminopropyl)anilino]propanoic acid has a molecular weight of 222.29 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-(3-aminopropyl)anilino]propanoic acid is sourced from PubChem (CID 63654243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).