4-(3-aminophenyl)butanoic acid;hydrochloride

C10H14ClNO2 — CID 11715486

IUPAC4-(3-aminophenyl)butanoic acid;hydrochloride
SMILESCl.Nc1cccc(CCCC(=O)O)c1
InChIInChI=1S/C10H13NO2.ClH/c11-9-5-1-3-8(7-9)4-2-6-10(12)13;/h1,3,5,7H,2,4,6,11H2,(H,12,13);1H
InChIKeyKQDRRBHCFUEQIW-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.10
Rot. Bonds4

About 4-(3-aminophenyl)butanoic acid;hydrochloride

4-(3-aminophenyl)butanoic acid;hydrochloride (PubChem CID 11715486) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 4-(3-aminophenyl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-(3-aminophenyl)butanoic acid;hydrochloride
PubChem CID11715486
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name4-(3-aminophenyl)butanoic acid;hydrochloride
SMILESCl.Nc1cccc(CCCC(=O)O)c1
InChIInChI=1S/C10H13NO2.ClH/c11-9-5-1-3-8(7-9)4-2-6-10(12)13;/h1,3,5,7H,2,4,6,11H2,(H,12,13);1H
InChIKeyKQDRRBHCFUEQIW-UHFFFAOYSA-N
XLogP2.10
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(3,5-diaminophenyl)butanoic acid
CID 151286992
6-(3-aminophenyl)hexanamide
CID 121009137
4-[3-(hydroxymethyl)phenyl]butanoic acid
CID 123133673
6-[3-(3-aminophenyl)propanoylamino]hexanoic acid
CID 115341245
ethyl 4-(3-aminophenyl)butanoate
CID 66895353
3-(3-aminophenyl)propan-1-ol
CID 10103334
2-[3-(3-aminophenyl)propanoyloxy]acetic acid
CID 80701511
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
3-[3-(3-aminophenyl)propanoyl-methylamino]propanoic acid
CID 115341393
4-[3-[(benzylamino)methyl]phenyl]butanoic acid
CID 70047814
4-(3-aminophenyl)-N-(2-methylpropyl)butanamide
CID 94262385
4-[(3-aminophenyl)methylsulfamoyl]butanoic acid
CID 54951855

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminophenyl)butanoic acid;hydrochloride?
The IUPAC name of 4-(3-aminophenyl)butanoic acid;hydrochloride (CID 11715486) is 4-(3-aminophenyl)butanoic acid;hydrochloride.
What is the SMILES notation for 4-(3-aminophenyl)butanoic acid;hydrochloride?
The canonical SMILES for 4-(3-aminophenyl)butanoic acid;hydrochloride is Cl.Nc1cccc(CCCC(=O)O)c1.
What is the InChIKey of 4-(3-aminophenyl)butanoic acid;hydrochloride?
The InChIKey is KQDRRBHCFUEQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c11-9-5-1-3-8(7-9)4-2-6-10(12)13;/h1,3,5,7H,2,4,6,11H2,(H,12,13);1H.
What are the key properties of 4-(3-aminophenyl)butanoic acid;hydrochloride?
4-(3-aminophenyl)butanoic acid;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)butanoic acid;hydrochloride is sourced from PubChem (CID 11715486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).