methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate

C21H19NO7 — CID 55935790

IUPACmethyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C21H19NO7/c1-26-21(25)18-15(9-11-28-18)13-29-20(24)16(12-14-6-3-2-4-7-14)22-19(23)17-8-5-10-27-17/h2-11,16H,12-13H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyIVEQVNYIJUYLAI-INIZCTEOSA-N
MW397.38 g/mol
LogP2.74
Rot. Bonds8

About methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate

methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate (PubChem CID 55935790) has the molecular formula C21H19NO7 and a molecular weight of 397.38 g/mol. Its IUPAC name is methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate
PubChem CID55935790
Molecular FormulaC21H19NO7
Molecular Weight397.38 g/mol
Exact Mass397.12
IUPAC Namemethyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate
SMILESCOC(=O)c1occc1COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1
InChIInChI=1S/C21H19NO7/c1-26-21(25)18-15(9-11-28-18)13-29-20(24)16(12-14-6-3-2-4-7-14)22-19(23)17-8-5-10-27-17/h2-11,16H,12-13H2,1H3,(H,22,23)/t16-/m0/s1
InChIKeyIVEQVNYIJUYLAI-INIZCTEOSA-N
XLogP2.74
TPSA107.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methoxyphenyl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 78761330
ethyl 2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 43877560
(4-chlorophenyl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578858
[(E)-but-2-enyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 55936409
[2-oxo-2-(propan-2-ylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567017
[(2S)-2-benzamido-3-phenylpropyl] (2R)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 127025927
N-[1-(cyanomethylamino)-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 71934697
[2-(4-methylphenyl)-2-oxoethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7030612
[2-oxo-2-(propylamino)ethyl] (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 7567045
(5-phenyl-1,3-oxazol-2-yl)methyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578893
N-[(2S)-1-oxo-3-phenyl-1-(prop-2-ynylamino)propan-2-yl]furan-2-carboxamide
CID 30600892
2-(4-methylphenoxy)ethyl (2S)-2-(furan-2-carbonylamino)-3-phenylpropanoate
CID 8578888

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate?
The IUPAC name of methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate (CID 55935790) is methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate is COC(=O)c1occc1COC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccco1.
What is the InChIKey of methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate?
The InChIKey is IVEQVNYIJUYLAI-INIZCTEOSA-N. The full InChI is InChI=1S/C21H19NO7/c1-26-21(25)18-15(9-11-28-18)13-29-20(24)16(12-14-6-3-2-4-7-14)22-19(23)17-8-5-10-27-17/h2-11,16H,12-13H2,1H3,(H,22,23)/t16-/m0/s1.
What are the key properties of methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate?
methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate has a molecular weight of 397.38 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(2S)-2-(furan-2-carbonylamino)-3-phenylpropanoyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 55935790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).