methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate

C17H17NO4 — CID 691603

IUPACmethyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-22-17(21)15(11-12-7-9-14(19)10-8-12)18-16(20)13-5-3-2-4-6-13/h2-10,15,19H,11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyGFVUIPNILAJZEC-HNNXBMFYSA-N
MW299.33 g/mol
LogP1.91
Rot. Bonds5

About methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate

methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate (PubChem CID 691603) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
PubChem CID691603
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namemethyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H17NO4/c1-22-17(21)15(11-12-7-9-14(19)10-8-12)18-16(20)13-5-3-2-4-6-13/h2-10,15,19H,11H2,1H3,(H,18,20)/t15-/m0/s1
InChIKeyGFVUIPNILAJZEC-HNNXBMFYSA-N
XLogP1.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate (CID 691603) is methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate is COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1.
What is the InChIKey of methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate?
The InChIKey is GFVUIPNILAJZEC-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-22-17(21)15(11-12-7-9-14(19)10-8-12)18-16(20)13-5-3-2-4-6-13/h2-10,15,19H,11H2,1H3,(H,18,20)/t15-/m0/s1.
What are the key properties of methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate?
methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate has a molecular weight of 299.33 g/mol, XLogP of 1.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-benzamido-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 691603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).