ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate

C20H21NO5 — CID 91412066

IUPACethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate
SMILESCCOC(=O)C(O)C=C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO5/c1-2-25-19(23)18(22)13-17(16-11-7-4-8-12-16)21-20(24)26-14-15-9-5-3-6-10-15/h3-13,18,22H,2,14H2,1H3,(H,21,24)
InChIKeyZAYKCYKDOABANY-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.88
Rot. Bonds7

About ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate

ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate (PubChem CID 91412066) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate
PubChem CID91412066
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Nameethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate
SMILESCCOC(=O)C(O)C=C(NC(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C20H21NO5/c1-2-25-19(23)18(22)13-17(16-11-7-4-8-12-16)21-20(24)26-14-15-9-5-3-6-10-15/h3-13,18,22H,2,14H2,1H3,(H,21,24)
InChIKeyZAYKCYKDOABANY-UHFFFAOYSA-N
XLogP2.88
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[(Z)-1-phenylprop-1-enyl]carbamate
CID 44603837
benzyl N-[(Z)-3-oxo-1-phenylbut-1-enyl]carbamate
CID 71620202
ethyl (2S)-2-(phenylmethoxycarbonylamino)propanoate
CID 10538700
ethyl (2S,3R)-2-hydroxy-3-phenyl-3-(phenylmethoxycarbonylamino)propanoate
CID 139832996
ethyl 2-(2-phenylmethoxycarbonylhydrazinyl)propanoate
CID 22956502
ethyl 2-chloro-2-(phenylmethoxycarbonylamino)acetate
CID 14991414
ethyl 3-hydroxy-3-methyl-2-(phenylmethoxycarbonylamino)butanoate
CID 57331908
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442
ethyl 2-[4-(phenylmethoxycarbonylcarbamoyl)phenyl]acetate
CID 70059375
ethyl (2S)-2-hydroxy-3-(4-methylphenyl)-3-(phenylmethoxycarbonylamino)propanoate
CID 90141045
diethyl (2S)-2-(phenylmethoxycarbonylamino)butanedioate
CID 10871014
ethyl 2,3-bis(phenylmethoxycarbonylamino)propanoate
CID 130151248

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate?
The IUPAC name of ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate (CID 91412066) is ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate.
What is the SMILES notation for ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate?
The canonical SMILES for ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate is CCOC(=O)C(O)C=C(NC(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate?
The InChIKey is ZAYKCYKDOABANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-2-25-19(23)18(22)13-17(16-11-7-4-8-12-16)21-20(24)26-14-15-9-5-3-6-10-15/h3-13,18,22H,2,14H2,1H3,(H,21,24).
What are the key properties of ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate?
ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate has a molecular weight of 355.39 g/mol, XLogP of 2.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-phenyl-4-(phenylmethoxycarbonylamino)but-3-enoate is sourced from PubChem (CID 91412066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).