methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate

C17H19NO3 — CID 104643617

IUPACmethyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate
SMILESCOC(=O)C(C)(O)CNc1ccccc1-c1ccccc1
InChIInChI=1S/C17H19NO3/c1-17(20,16(19)21-2)12-18-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,18,20H,12H2,1-2H3
InChIKeyLNRCZXAORQBQHV-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.69
Rot. Bonds5

About methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate

methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate (PubChem CID 104643617) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate
PubChem CID104643617
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Namemethyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate
SMILESCOC(=O)C(C)(O)CNc1ccccc1-c1ccccc1
InChIInChI=1S/C17H19NO3/c1-17(20,16(19)21-2)12-18-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,18,20H,12H2,1-2H3
InChIKeyLNRCZXAORQBQHV-UHFFFAOYSA-N
XLogP2.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate?
The IUPAC name of methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate (CID 104643617) is methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate.
What is the SMILES notation for methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate?
The canonical SMILES for methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate is COC(=O)C(C)(O)CNc1ccccc1-c1ccccc1.
What is the InChIKey of methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate?
The InChIKey is LNRCZXAORQBQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c1-17(20,16(19)21-2)12-18-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h3-11,18,20H,12H2,1-2H3.
What are the key properties of methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate?
methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate has a molecular weight of 285.34 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-methyl-3-(2-phenylanilino)propanoate is sourced from PubChem (CID 104643617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).