ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate

C18H19NO4 — CID 6999830

IUPACethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate
SMILESCCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-2-23-18(22)16(12-13-8-10-15(20)11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeySRLROPAFMUDDRC-MRXNPFEDSA-N
MW313.35 g/mol
LogP2.30
Rot. Bonds6

About ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate

ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate (PubChem CID 6999830) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate
PubChem CID6999830
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate
SMILESCCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1
InChIInChI=1S/C18H19NO4/c1-2-23-18(22)16(12-13-8-10-15(20)11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,19,21)/t16-/m1/s1
InChIKeySRLROPAFMUDDRC-MRXNPFEDSA-N
XLogP2.30
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate (CID 6999830) is ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate is CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1ccccc1.
What is the InChIKey of ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate?
The InChIKey is SRLROPAFMUDDRC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-23-18(22)16(12-13-8-10-15(20)11-9-13)19-17(21)14-6-4-3-5-7-14/h3-11,16,20H,2,12H2,1H3,(H,19,21)/t16-/m1/s1.
What are the key properties of ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate?
ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate has a molecular weight of 313.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-benzamido-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 6999830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).