2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid

C11H14Cl2N2O2 — CID 18767155

IUPAC2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid
SMILESCCC(N)(Cc1c(N)ccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C11H14Cl2N2O2/c1-2-11(15,10(16)17)5-6-8(14)4-3-7(12)9(6)13/h3-4H,2,5,14-15H2,1H3,(H,16,17)
InChIKeyHIHFDSAGKJIRCF-UHFFFAOYSA-N
MW277.15 g/mol
LogP2.31
Rot. Bonds4

About 2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid

2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid (PubChem CID 18767155) has the molecular formula C11H14Cl2N2O2 and a molecular weight of 277.15 g/mol. Its IUPAC name is 2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid.

Molecular Properties

Compound Name2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid
PubChem CID18767155
Molecular FormulaC11H14Cl2N2O2
Molecular Weight277.15 g/mol
Exact Mass276.04
IUPAC Name2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid
SMILESCCC(N)(Cc1c(N)ccc(Cl)c1Cl)C(=O)O
InChIInChI=1S/C11H14Cl2N2O2/c1-2-11(15,10(16)17)5-6-8(14)4-3-7(12)9(6)13/h3-4H,2,5,14-15H2,1H3,(H,16,17)
InChIKeyHIHFDSAGKJIRCF-UHFFFAOYSA-N
XLogP2.31
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid?
The IUPAC name of 2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid (CID 18767155) is 2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid.
What is the SMILES notation for 2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid?
The canonical SMILES for 2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid is CCC(N)(Cc1c(N)ccc(Cl)c1Cl)C(=O)O.
What is the InChIKey of 2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid?
The InChIKey is HIHFDSAGKJIRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O2/c1-2-11(15,10(16)17)5-6-8(14)4-3-7(12)9(6)13/h3-4H,2,5,14-15H2,1H3,(H,16,17).
What are the key properties of 2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid?
2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid has a molecular weight of 277.15 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[(6-amino-2,3-dichlorophenyl)methyl]butanoic acid is sourced from PubChem (CID 18767155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).