2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride

C10H12Cl3NO2 — CID 170913671

IUPAC2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride
SMILESCl.NC(CCc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C10H11Cl2NO2.ClH/c11-7-3-1-6(5-8(7)12)2-4-9(13)10(14)15;/h1,3,5,9H,2,4,13H2,(H,14,15);1H
InChIKeyJLTXVEFRSKGOEG-UHFFFAOYSA-N
MW284.57 g/mol
LogP2.76
Rot. Bonds4

About 2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride

2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride (PubChem CID 170913671) has the molecular formula C10H12Cl3NO2 and a molecular weight of 284.57 g/mol. Its IUPAC name is 2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride
PubChem CID170913671
Molecular FormulaC10H12Cl3NO2
Molecular Weight284.57 g/mol
Exact Mass282.99
IUPAC Name2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride
SMILESCl.NC(CCc1ccc(Cl)c(Cl)c1)C(=O)O
InChIInChI=1S/C10H11Cl2NO2.ClH/c11-7-3-1-6(5-8(7)12)2-4-9(13)10(14)15;/h1,3,5,9H,2,4,13H2,(H,14,15);1H
InChIKeyJLTXVEFRSKGOEG-UHFFFAOYSA-N
XLogP2.76
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.57
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride?
The IUPAC name of 2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride (CID 170913671) is 2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride?
The canonical SMILES for 2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride is Cl.NC(CCc1ccc(Cl)c(Cl)c1)C(=O)O.
What is the InChIKey of 2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride?
The InChIKey is JLTXVEFRSKGOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2.ClH/c11-7-3-1-6(5-8(7)12)2-4-9(13)10(14)15;/h1,3,5,9H,2,4,13H2,(H,14,15);1H.
What are the key properties of 2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride?
2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride has a molecular weight of 284.57 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3,4-dichlorophenyl)butanoic acid;hydrochloride is sourced from PubChem (CID 170913671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).