2-benzamido-2-benzyl-3-hydroxypropanoic acid

C17H17NO4 — CID 2733903

IUPAC2-benzamido-2-benzyl-3-hydroxypropanoic acid
SMILESO=C(NC(CO)(Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C17H17NO4/c19-12-17(16(21)22,11-13-7-3-1-4-8-13)18-15(20)14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,18,20)(H,21,22)
InChIKeyLKEOXPPWIMAHCM-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.47
Rot. Bonds6

About 2-benzamido-2-benzyl-3-hydroxypropanoic acid

2-benzamido-2-benzyl-3-hydroxypropanoic acid (PubChem CID 2733903) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-benzamido-2-benzyl-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-benzamido-2-benzyl-3-hydroxypropanoic acid
PubChem CID2733903
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name2-benzamido-2-benzyl-3-hydroxypropanoic acid
SMILESO=C(NC(CO)(Cc1ccccc1)C(=O)O)c1ccccc1
InChIInChI=1S/C17H17NO4/c19-12-17(16(21)22,11-13-7-3-1-4-8-13)18-15(20)14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,18,20)(H,21,22)
InChIKeyLKEOXPPWIMAHCM-UHFFFAOYSA-N
XLogP1.47
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzamido-2-benzyl-3-hydroxypropanoic acid?
The IUPAC name of 2-benzamido-2-benzyl-3-hydroxypropanoic acid (CID 2733903) is 2-benzamido-2-benzyl-3-hydroxypropanoic acid.
What is the SMILES notation for 2-benzamido-2-benzyl-3-hydroxypropanoic acid?
The canonical SMILES for 2-benzamido-2-benzyl-3-hydroxypropanoic acid is O=C(NC(CO)(Cc1ccccc1)C(=O)O)c1ccccc1.
What is the InChIKey of 2-benzamido-2-benzyl-3-hydroxypropanoic acid?
The InChIKey is LKEOXPPWIMAHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-12-17(16(21)22,11-13-7-3-1-4-8-13)18-15(20)14-9-5-2-6-10-14/h1-10,19H,11-12H2,(H,18,20)(H,21,22).
What are the key properties of 2-benzamido-2-benzyl-3-hydroxypropanoic acid?
2-benzamido-2-benzyl-3-hydroxypropanoic acid has a molecular weight of 299.33 g/mol, XLogP of 1.47, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-2-benzyl-3-hydroxypropanoic acid is sourced from PubChem (CID 2733903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).