ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate

C18H27NO5 — CID 90122895

IUPACethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](C)[C@H](NCC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C18H27NO5/c1-6-22-15(20)10-9-13(2)17(14-8-7-11-23-14)19-12-16(21)24-18(3,4)5/h7-11,13,17,19H,6,12H2,1-5H3/b10-9+/t13-,17+/m1/s1
InChIKeyFJTQPJOTRPHNJH-FLKMUUGWSA-N
MW337.42 g/mol
LogP3.01
Rot. Bonds8

About ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate

ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate (PubChem CID 90122895) has the molecular formula C18H27NO5 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate.

Molecular Properties

Compound Nameethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate
PubChem CID90122895
Molecular FormulaC18H27NO5
Molecular Weight337.42 g/mol
Exact Mass337.19
IUPAC Nameethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate
SMILESCCOC(=O)/C=C/[C@@H](C)[C@H](NCC(=O)OC(C)(C)C)c1ccco1
InChIInChI=1S/C18H27NO5/c1-6-22-15(20)10-9-13(2)17(14-8-7-11-23-14)19-12-16(21)24-18(3,4)5/h7-11,13,17,19H,6,12H2,1-5H3/b10-9+/t13-,17+/m1/s1
InChIKeyFJTQPJOTRPHNJH-FLKMUUGWSA-N
XLogP3.01
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate 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

ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pent-2-enoate
CID 90122896
methyl 2-(furan-2-yl)-2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
CID 69345751
tert-butyl 2-[1-(furan-2-yl)propylamino]acetate
CID 81463030
ethyl (E,4S,5R)-4-(furan-2-yl)-5-hydroxyhex-2-enoate
CID 73293860
ethyl (Z)-4-bromo-4-(furan-2-yl)but-2-enoate
CID 45257437
ethyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]propanoate
CID 61498958
ethyl (E,5S)-5-amino-5-(furan-2-yl)pent-2-enoate;hydrochloride
CID 56849943
ethyl (E)-5-[furan-2-ylmethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]hex-2-enoate
CID 101271254
ethyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]butanoate
CID 81399972
ethyl (E,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pent-2-enoate
CID 10243501
tert-butyl 2-(furan-2-carbonylamino)acetate
CID 78966369
6-O-tert-butyl 1-O-ethyl (E,4S)-4-(phenylmethoxycarbonylamino)hex-2-enedioate
CID 141481393

Frequently Asked Questions

What is the IUPAC name of ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate?
The IUPAC name of ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate (CID 90122895) is ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate.
What is the SMILES notation for ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate?
The canonical SMILES for ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate is CCOC(=O)/C=C/[C@@H](C)[C@H](NCC(=O)OC(C)(C)C)c1ccco1.
What is the InChIKey of ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate?
The InChIKey is FJTQPJOTRPHNJH-FLKMUUGWSA-N. The full InChI is InChI=1S/C18H27NO5/c1-6-22-15(20)10-9-13(2)17(14-8-7-11-23-14)19-12-16(21)24-18(3,4)5/h7-11,13,17,19H,6,12H2,1-5H3/b10-9+/t13-,17+/m1/s1.
What are the key properties of ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate?
ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate has a molecular weight of 337.42 g/mol, XLogP of 3.01, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E,4R,5S)-5-(furan-2-yl)-4-methyl-5-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]pent-2-enoate is sourced from PubChem (CID 90122895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).