ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate

C17H19NO5 — CID 166441897

IUPACethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate
SMILESCCOC(=O)[C@@](CO)(Cc1ccoc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H19NO5/c1-2-23-16(21)17(12-19,10-13-8-9-22-11-13)18-15(20)14-6-4-3-5-7-14/h3-9,11,19H,2,10,12H2,1H3,(H,18,20)/t17-/m0/s1
InChIKeyIQQXMHLSGXUIKD-KRWDZBQOSA-N
MW317.34 g/mol
LogP1.55
Rot. Bonds7

About ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate

ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate (PubChem CID 166441897) has the molecular formula C17H19NO5 and a molecular weight of 317.34 g/mol. Its IUPAC name is ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate
PubChem CID166441897
Molecular FormulaC17H19NO5
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Nameethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate
SMILESCCOC(=O)[C@@](CO)(Cc1ccoc1)NC(=O)c1ccccc1
InChIInChI=1S/C17H19NO5/c1-2-23-16(21)17(12-19,10-13-8-9-22-11-13)18-15(20)14-6-4-3-5-7-14/h3-9,11,19H,2,10,12H2,1H3,(H,18,20)/t17-/m0/s1
InChIKeyIQQXMHLSGXUIKD-KRWDZBQOSA-N
XLogP1.55
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate?
The IUPAC name of ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate (CID 166441897) is ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate.
What is the SMILES notation for ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate?
The canonical SMILES for ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate is CCOC(=O)[C@@](CO)(Cc1ccoc1)NC(=O)c1ccccc1.
What is the InChIKey of ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate?
The InChIKey is IQQXMHLSGXUIKD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19NO5/c1-2-23-16(21)17(12-19,10-13-8-9-22-11-13)18-15(20)14-6-4-3-5-7-14/h3-9,11,19H,2,10,12H2,1H3,(H,18,20)/t17-/m0/s1.
What are the key properties of ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate?
ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate has a molecular weight of 317.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-benzamido-2-(furan-3-ylmethyl)-3-hydroxypropanoate is sourced from PubChem (CID 166441897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).