(2S)-2-benzamido-2-methyl-3-phenylpropanoic acid

C17H17NO3 — CID 10379086

IUPAC(2S)-2-benzamido-2-methyl-3-phenylpropanoic acid
SMILESC[C@@](Cc1ccccc1)(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C17H17NO3/c1-17(16(20)21,12-13-8-4-2-5-9-13)18-15(19)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,18,19)(H,20,21)/t17-/m0/s1
InChIKeyBJFZOUNGJFCHEZ-KRWDZBQOSA-N
MW283.33 g/mol
LogP2.50
Rot. Bonds5

About (2S)-2-benzamido-2-methyl-3-phenylpropanoic acid

(2S)-2-benzamido-2-methyl-3-phenylpropanoic acid (PubChem CID 10379086) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (2S)-2-benzamido-2-methyl-3-phenylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-benzamido-2-methyl-3-phenylpropanoic acid
PubChem CID10379086
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(2S)-2-benzamido-2-methyl-3-phenylpropanoic acid
SMILESC[C@@](Cc1ccccc1)(NC(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C17H17NO3/c1-17(16(20)21,12-13-8-4-2-5-9-13)18-15(19)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,18,19)(H,20,21)/t17-/m0/s1
InChIKeyBJFZOUNGJFCHEZ-KRWDZBQOSA-N
XLogP2.50
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-benzamido-2-methyl-3-phenylpropanoic acid?
The IUPAC name of (2S)-2-benzamido-2-methyl-3-phenylpropanoic acid (CID 10379086) is (2S)-2-benzamido-2-methyl-3-phenylpropanoic acid.
What is the SMILES notation for (2S)-2-benzamido-2-methyl-3-phenylpropanoic acid?
The canonical SMILES for (2S)-2-benzamido-2-methyl-3-phenylpropanoic acid is C[C@@](Cc1ccccc1)(NC(=O)c1ccccc1)C(=O)O.
What is the InChIKey of (2S)-2-benzamido-2-methyl-3-phenylpropanoic acid?
The InChIKey is BJFZOUNGJFCHEZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H17NO3/c1-17(16(20)21,12-13-8-4-2-5-9-13)18-15(19)14-10-6-3-7-11-14/h2-11H,12H2,1H3,(H,18,19)(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-2-benzamido-2-methyl-3-phenylpropanoic acid?
(2S)-2-benzamido-2-methyl-3-phenylpropanoic acid has a molecular weight of 283.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-benzamido-2-methyl-3-phenylpropanoic acid is sourced from PubChem (CID 10379086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).