4-[N-(2-aminoethyl)anilino]butanoic acid

C12H18N2O2 — CID 63654603

IUPAC4-[N-(2-aminoethyl)anilino]butanoic acid
SMILESNCCN(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c13-8-10-14(9-4-7-12(15)16)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,13H2,(H,15,16)
InChIKeyHJFYKJXVVDTOQS-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.32
Rot. Bonds7

About 4-[N-(2-aminoethyl)anilino]butanoic acid

4-[N-(2-aminoethyl)anilino]butanoic acid (PubChem CID 63654603) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[N-(2-aminoethyl)anilino]butanoic acid.

Molecular Properties

Compound Name4-[N-(2-aminoethyl)anilino]butanoic acid
PubChem CID63654603
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name4-[N-(2-aminoethyl)anilino]butanoic acid
SMILESNCCN(CCCC(=O)O)c1ccccc1
InChIInChI=1S/C12H18N2O2/c13-8-10-14(9-4-7-12(15)16)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,13H2,(H,15,16)
InChIKeyHJFYKJXVVDTOQS-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

3-[N-(3-aminopropyl)anilino]propanoic acid
CID 63654243
4-(N-ethylanilino)butanoic acid
CID 11390560
4-[N-(3-aminopropanoyl)anilino]butanoic acid
CID 61161462
4-[N-(2-pyridin-4-ylethyl)anilino]butanoic acid
CID 60892078
4-[N-[3-(2-methoxyethoxy)propyl]anilino]butanoic acid
CID 103410825
3-[N-[3-(dimethylamino)propyl]anilino]propanoic acid
CID 82319994
4-[N-[(4-methylphenyl)methyl]anilino]butanoic acid
CID 60839271
4-[N-[(4-iodophenyl)methyl]anilino]butanoic acid
CID 65478869
4-(N-chloroanilino)butanoic acid
CID 175293353
4-[N-(2-pyridin-3-ylethyl)anilino]butanoic acid
CID 63262572
4-[N-(2-morpholin-4-ylethyl)anilino]butanoic acid
CID 60838256
4-[N-(2-carboxyethyl)-4-(carboxymethyl)anilino]butanoic acid
CID 95532683

Frequently Asked Questions

What is the IUPAC name of 4-[N-(2-aminoethyl)anilino]butanoic acid?
The IUPAC name of 4-[N-(2-aminoethyl)anilino]butanoic acid (CID 63654603) is 4-[N-(2-aminoethyl)anilino]butanoic acid.
What is the SMILES notation for 4-[N-(2-aminoethyl)anilino]butanoic acid?
The canonical SMILES for 4-[N-(2-aminoethyl)anilino]butanoic acid is NCCN(CCCC(=O)O)c1ccccc1.
What is the InChIKey of 4-[N-(2-aminoethyl)anilino]butanoic acid?
The InChIKey is HJFYKJXVVDTOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c13-8-10-14(9-4-7-12(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 4-[N-(2-aminoethyl)anilino]butanoic acid?
4-[N-(2-aminoethyl)anilino]butanoic 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 4-[N-(2-aminoethyl)anilino]butanoic acid is sourced from PubChem (CID 63654603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).