tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate

C20H26N2O5 — CID 170729553

IUPACtert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate
SMILESCc1cc2c(c3c1C(=O)N([C@@H](CCC(=O)OC(C)(C)C)C(N)=O)C3)OCC2
InChIInChI=1S/C20H26N2O5/c1-11-9-12-7-8-26-17(12)13-10-22(19(25)16(11)13)14(18(21)24)5-6-15(23)27-20(2,3)4/h9,14H,5-8,10H2,1-4H3,(H2,21,24)/t14-/m0/s1
InChIKeyDKUICVJOKZJJLV-AWEZNQCLSA-N
MW374.44 g/mol
LogP1.86
Rot. Bonds5

About tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate

tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate (PubChem CID 170729553) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate.

Molecular Properties

Compound Nametert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate
PubChem CID170729553
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Nametert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate
SMILESCc1cc2c(c3c1C(=O)N([C@@H](CCC(=O)OC(C)(C)C)C(N)=O)C3)OCC2
InChIInChI=1S/C20H26N2O5/c1-11-9-12-7-8-26-17(12)13-10-22(19(25)16(11)13)14(18(21)24)5-6-15(23)27-20(2,3)4/h9,14H,5-8,10H2,1-4H3,(H2,21,24)/t14-/m0/s1
InChIKeyDKUICVJOKZJJLV-AWEZNQCLSA-N
XLogP1.86
TPSA98.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate with MolForge

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Related Compounds

N-tert-butyl-5-methoxy-4-methyl-3-oxo-2-[(2-phenylphenyl)methyl]-1H-isoindole-1-carboxamide
CID 68770356
(10bR)-9-ethyl-8-methoxy-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 16115644
(S)-3-[6-Oxospiro[furo[2,3-e]isoindole-3,4'-piperidin]-7(2H,6H,8H)-yl]piperidine-2,6-dione
CID 169201127
(3S)-3-(1'-benzyl-6-oxospiro[2,8-dihydrofuro[2,3-e]isoindole-3,4'-piperidine]-7-yl)piperidine-2,6-dione
CID 169201367
3-[6-(1-benzyl-3,6-dihydro-2H-pyridin-4-yl)-7-methoxy-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154680665
5-(8-Aminooctoxy)-2-(2,6-dioxo-3-piperidyl)isoindoline-1,3-dione
CID 132427805
Tert-butyl (8-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-5-yl)oxy)octyl)carbamate
CID 132427818
(2R)-2-(2,3-dihydro-1-benzofuran-5-yl)-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]acetic acid
CID 171359374
methyl 5-amino-4-[7-[[4-[(4,4-difluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67333435
methyl 5-amino-4-[7-[[4-[(4-fluoropiperidin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67333925
(4S)-5-amino-4-[[4-(2,3-dihydro-1-benzofuran-5-yl)benzoyl]-[1-(4-fluorophenyl)-2-methylpropan-2-yl]amino]-5-oxopentanoic acid
CID 67334213
methyl 5-amino-4-[7-[[3-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanoate
CID 67334455

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate?
The IUPAC name of tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate (CID 170729553) is tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate.
What is the SMILES notation for tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate?
The canonical SMILES for tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate is Cc1cc2c(c3c1C(=O)N([C@@H](CCC(=O)OC(C)(C)C)C(N)=O)C3)OCC2.
What is the InChIKey of tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate?
The InChIKey is DKUICVJOKZJJLV-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-11-9-12-7-8-26-17(12)13-10-22(19(25)16(11)13)14(18(21)24)5-6-15(23)27-20(2,3)4/h9,14H,5-8,10H2,1-4H3,(H2,21,24)/t14-/m0/s1.
What are the key properties of tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate?
tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate has a molecular weight of 374.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-5-amino-4-(5-methyl-6-oxo-3,8-dihydro-2H-furo[2,3-e]isoindol-7-yl)-5-oxopentanoate is sourced from PubChem (CID 170729553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).