methyl 2-amino-2-phenylbutanoate

C11H15NO2 — CID 14148299

IUPACmethyl 2-amino-2-phenylbutanoate
SMILESCCC(N)(C(=O)OC)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-3-11(12,10(13)14-2)9-7-5-4-6-8-9/h4-8H,3,12H2,1-2H3
InChIKeyURYMDIRNRNJHAM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.42
Rot. Bonds3

About methyl 2-amino-2-phenylbutanoate

methyl 2-amino-2-phenylbutanoate (PubChem CID 14148299) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is methyl 2-amino-2-phenylbutanoate.

Molecular Properties

Compound Namemethyl 2-amino-2-phenylbutanoate
PubChem CID14148299
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Namemethyl 2-amino-2-phenylbutanoate
SMILESCCC(N)(C(=O)OC)c1ccccc1
InChIInChI=1S/C11H15NO2/c1-3-11(12,10(13)14-2)9-7-5-4-6-8-9/h4-8H,3,12H2,1-2H3
InChIKeyURYMDIRNRNJHAM-UHFFFAOYSA-N
XLogP1.42
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-phenylbutanoate?
The IUPAC name of methyl 2-amino-2-phenylbutanoate (CID 14148299) is methyl 2-amino-2-phenylbutanoate.
What is the SMILES notation for methyl 2-amino-2-phenylbutanoate?
The canonical SMILES for methyl 2-amino-2-phenylbutanoate is CCC(N)(C(=O)OC)c1ccccc1.
What is the InChIKey of methyl 2-amino-2-phenylbutanoate?
The InChIKey is URYMDIRNRNJHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-3-11(12,10(13)14-2)9-7-5-4-6-8-9/h4-8H,3,12H2,1-2H3.
What are the key properties of methyl 2-amino-2-phenylbutanoate?
methyl 2-amino-2-phenylbutanoate has a molecular weight of 193.25 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-phenylbutanoate is sourced from PubChem (CID 14148299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).