(3-chlorophenyl)methyl 2-amino-2-methylpropanoate

C11H14ClNO2 — CID 65126970

IUPAC(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-11(2,13)10(14)15-7-8-4-3-5-9(12)6-8/h3-6H,7,13H2,1-2H3
InChIKeyFPZQDOQWVXATFL-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.12
Rot. Bonds3

About (3-chlorophenyl)methyl 2-amino-2-methylpropanoate

(3-chlorophenyl)methyl 2-amino-2-methylpropanoate (PubChem CID 65126970) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is (3-chlorophenyl)methyl 2-amino-2-methylpropanoate.

Molecular Properties

Compound Name(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
PubChem CID65126970
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name(3-chlorophenyl)methyl 2-amino-2-methylpropanoate
SMILESCC(C)(N)C(=O)OCc1cccc(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-11(2,13)10(14)15-7-8-4-3-5-9(12)6-8/h3-6H,7,13H2,1-2H3
InChIKeyFPZQDOQWVXATFL-UHFFFAOYSA-N
XLogP2.12
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorophenyl)methyl 2-carbonochloridoyl-2-ethylbutanoate
CID 91712545
bis[(3-chlorophenyl)methyl] carbonate
CID 44719399
1-O-[(3-chlorophenyl)methyl] 3-O-(2-methylpropyl) 2,2-diethylpropanedioate
CID 91712484
(3-chlorophenyl)methyl 2-methoxyacetate
CID 142607419
1-O-[(3-chlorophenyl)methyl] 3-O-hexadecyl 2,2-diethylpropanedioate
CID 91707605
(3-chlorophenyl)methyl 4-amino-5-methylthiophene-2-carboxylate
CID 61314686
(3-chlorophenyl)methyl 2-amino-3-hydroxybutanoate
CID 65127127
argon;(3-chlorophenyl)methyl benzoate
CID 174492322
(3-chlorophenyl)methyl 3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 8734116
(3-chlorophenyl)methyl 2-(3-chloroanilino)acetate
CID 65127418
3-amino-1-(3-chlorophenyl)-3-methylpentan-2-one
CID 116590344
(3-chlorophenyl)methyl 2-amino-4-methoxybutanoate
CID 65126822

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)methyl 2-amino-2-methylpropanoate?
The IUPAC name of (3-chlorophenyl)methyl 2-amino-2-methylpropanoate (CID 65126970) is (3-chlorophenyl)methyl 2-amino-2-methylpropanoate.
What is the SMILES notation for (3-chlorophenyl)methyl 2-amino-2-methylpropanoate?
The canonical SMILES for (3-chlorophenyl)methyl 2-amino-2-methylpropanoate is CC(C)(N)C(=O)OCc1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)methyl 2-amino-2-methylpropanoate?
The InChIKey is FPZQDOQWVXATFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-11(2,13)10(14)15-7-8-4-3-5-9(12)6-8/h3-6H,7,13H2,1-2H3.
What are the key properties of (3-chlorophenyl)methyl 2-amino-2-methylpropanoate?
(3-chlorophenyl)methyl 2-amino-2-methylpropanoate has a molecular weight of 227.69 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)methyl 2-amino-2-methylpropanoate is sourced from PubChem (CID 65126970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).