4-amino-4-(2-aminophenyl)butanoic acid

C10H14N2O2 — CID 55297082

IUPAC4-amino-4-(2-aminophenyl)butanoic acid
SMILESNc1ccccc1C(N)CCC(=O)O
InChIInChI=1S/C10H14N2O2/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)
InChIKeyZGMCNBYKMWFQAL-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.13
Rot. Bonds4

About 4-amino-4-(2-aminophenyl)butanoic acid

4-amino-4-(2-aminophenyl)butanoic acid (PubChem CID 55297082) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-amino-4-(2-aminophenyl)butanoic acid.

Molecular Properties

Compound Name4-amino-4-(2-aminophenyl)butanoic acid
PubChem CID55297082
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-amino-4-(2-aminophenyl)butanoic acid
SMILESNc1ccccc1C(N)CCC(=O)O
InChIInChI=1S/C10H14N2O2/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14)
InChIKeyZGMCNBYKMWFQAL-UHFFFAOYSA-N
XLogP1.13
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4,4-bis(2-aminophenyl)butanoic acid
CID 139607855
1-(2-aminophenyl)propane-1,3-diamine
CID 70282221
4-amino-4-[2-(difluoromethoxy)phenyl]butanoic acid
CID 117364212
4-amino-4-[2-(2-methoxypropan-2-yl)phenyl]butanoic acid
CID 117115917
(4R)-4-amino-4-(2-fluoro-3-pyridinyl)butanoic acid
CID 55265569
4-amino-4-(2-bromo-3-chlorophenyl)butanoic acid
CID 117472463
4-amino-4-(1H-indol-3-yl)butanoic acid
CID 82614837
8-[(1R)-1-amino-3-carboxypropyl]naphthalene-1-carboxylic acid
CID 165347390
4-amino-4-(3-hydroxy-2-methylsulfanylphenyl)butanoic acid
CID 117355517
4-amino-4-[2-(3-methyl-2-oxoimidazolidin-1-yl)phenyl]butanoic acid
CID 117444266
4-amino-4-[2-(4-methylcyclohexyl)phenyl]butanoic acid
CID 117440873
4-amino-4-(1H-indol-7-yl)butanoic acid
CID 82614845

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-aminophenyl)butanoic acid?
The IUPAC name of 4-amino-4-(2-aminophenyl)butanoic acid (CID 55297082) is 4-amino-4-(2-aminophenyl)butanoic acid.
What is the SMILES notation for 4-amino-4-(2-aminophenyl)butanoic acid?
The canonical SMILES for 4-amino-4-(2-aminophenyl)butanoic acid is Nc1ccccc1C(N)CCC(=O)O.
What is the InChIKey of 4-amino-4-(2-aminophenyl)butanoic acid?
The InChIKey is ZGMCNBYKMWFQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-8-4-2-1-3-7(8)9(12)5-6-10(13)14/h1-4,9H,5-6,11-12H2,(H,13,14).
What are the key properties of 4-amino-4-(2-aminophenyl)butanoic acid?
4-amino-4-(2-aminophenyl)butanoic acid has a molecular weight of 194.23 g/mol, XLogP of 1.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-aminophenyl)butanoic acid is sourced from PubChem (CID 55297082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).