2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid

C11H14ClNO2 — CID 3235955

IUPAC2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid
SMILESCC(C)(NCc1ccccc1Cl)C(=O)O
InChIInChI=1S/C11H14ClNO2/c1-11(2,10(14)15)13-7-8-5-3-4-6-9(8)12/h3-6,13H,7H2,1-2H3,(H,14,15)
InChIKeyBHRDYWRPNNMOLL-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.29
Rot. Bonds4

About 2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid

2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid (PubChem CID 3235955) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid
PubChem CID3235955
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid
SMILESCC(C)(NCc1ccccc1Cl)C(=O)O
InChIInChI=1S/C11H14ClNO2/c1-11(2,10(14)15)13-7-8-5-3-4-6-9(8)12/h3-6,13H,7H2,1-2H3,(H,14,15)
InChIKeyBHRDYWRPNNMOLL-UHFFFAOYSA-N
XLogP2.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid (CID 3235955) is 2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid is CC(C)(NCc1ccccc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid?
The InChIKey is BHRDYWRPNNMOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-11(2,10(14)15)13-7-8-5-3-4-6-9(8)12/h3-6,13H,7H2,1-2H3,(H,14,15).
What are the key properties of 2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid?
2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid has a molecular weight of 227.69 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 3235955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).