(3,4-dichlorophenyl) 2-amino-2-methylpropanoate

C10H11Cl2NO2 — CID 90947932

IUPAC(3,4-dichlorophenyl) 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-10(2,13)9(14)15-6-3-4-7(11)8(12)5-6/h3-5H,13H2,1-2H3
InChIKeyFOYABIZRXXZFSE-UHFFFAOYSA-N
MW248.11 g/mol
LogP2.64
Rot. Bonds2

About (3,4-dichlorophenyl) 2-amino-2-methylpropanoate

(3,4-dichlorophenyl) 2-amino-2-methylpropanoate (PubChem CID 90947932) has the molecular formula C10H11Cl2NO2 and a molecular weight of 248.11 g/mol. Its IUPAC name is (3,4-dichlorophenyl) 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name(3,4-dichlorophenyl) 2-amino-2-methylpropanoate
PubChem CID90947932
Molecular FormulaC10H11Cl2NO2
Molecular Weight248.11 g/mol
Exact Mass247.02
IUPAC Name(3,4-dichlorophenyl) 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H11Cl2NO2/c1-10(2,13)9(14)15-6-3-4-7(11)8(12)5-6/h3-5H,13H2,1-2H3
InChIKeyFOYABIZRXXZFSE-UHFFFAOYSA-N
XLogP2.64
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-amino-2-methylpropanoate
CID 22002021
(3,4-dichlorophenyl) 3-methylbut-2-enoate
CID 532360
(3,4-dichlorophenyl) (E)-but-2-enoate
CID 12664415
(3,4-dichlorophenyl) 2-chloroacetate
CID 532462
4-(2-bromo-2-methylpropanoyl)oxy-2-chlorobenzoate
CID 154609353
(3,4-dichlorophenyl) 2-methylpentanoate
CID 91695915
methyl (2S)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311074
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311073
4-O-(3,4-dichlorophenyl) 1-O-propyl (E)-but-2-enedioate
CID 91717008
1-O-(4-chloro-3-methylphenyl) 3-O-propyl 2,2-dimethylpropanedioate
CID 91701739
2H-chromen-6-yl 2-amino-2-methylpropanoate
CID 143187477
4-O-(3,4-dichlorophenyl) 1-O-propyl benzene-1,4-dicarboxylate
CID 91730763

Frequently Asked Questions

What is the IUPAC name of (3,4-dichlorophenyl) 2-amino-2-methylpropanoate?
The IUPAC name of (3,4-dichlorophenyl) 2-amino-2-methylpropanoate (CID 90947932) is (3,4-dichlorophenyl) 2-amino-2-methylpropanoate.
What is the SMILES notation for (3,4-dichlorophenyl) 2-amino-2-methylpropanoate?
The canonical SMILES for (3,4-dichlorophenyl) 2-amino-2-methylpropanoate is CC(C)(N)C(=O)Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of (3,4-dichlorophenyl) 2-amino-2-methylpropanoate?
The InChIKey is FOYABIZRXXZFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO2/c1-10(2,13)9(14)15-6-3-4-7(11)8(12)5-6/h3-5H,13H2,1-2H3.
What are the key properties of (3,4-dichlorophenyl) 2-amino-2-methylpropanoate?
(3,4-dichlorophenyl) 2-amino-2-methylpropanoate has a molecular weight of 248.11 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dichlorophenyl) 2-amino-2-methylpropanoate is sourced from PubChem (CID 90947932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).