propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate

C20H20N2O6 — CID 2454556

IUPACpropan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)o1
InChIInChI=1S/C20H20N2O6/c1-12(2)27-17(23)16-8-7-13(28-16)11-22-18(24)20(21-19(22)25)9-10-26-15-6-4-3-5-14(15)20/h3-8,12H,9-11H2,1-2H3,(H,21,25)/t20-/m0/s1
InChIKeyWDTNBWUNRGJAAS-FQEVSTJZSA-N
MW384.39 g/mol
LogP2.57
Rot. Bonds4

About propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate

propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate (PubChem CID 2454556) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate
PubChem CID2454556
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Namepropan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate
SMILESCC(C)OC(=O)c1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)o1
InChIInChI=1S/C20H20N2O6/c1-12(2)27-17(23)16-8-7-13(28-16)11-22-18(24)20(21-19(22)25)9-10-26-15-6-4-3-5-14(15)20/h3-8,12H,9-11H2,1-2H3,(H,21,25)/t20-/m0/s1
InChIKeyWDTNBWUNRGJAAS-FQEVSTJZSA-N
XLogP2.57
TPSA98.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4R)-3'-[(4-tert-butylphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 2442704
methyl 3-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]benzoate
CID 25387050
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40791325
(4S)-3'-[2-(4-ethylphenyl)-2-oxoethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 40630931
(4R)-3'-(trimethylsilylmethyl)spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 99804409
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2442723
(4R)-3'-[(3-methyl-1,2-oxazol-5-yl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 9291202
3'-[(3-fluoro-4-methoxyphenyl)methyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 4883616
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
CID 8602945
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
CID 8602944
[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
CID 7711332

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate?
The IUPAC name of propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate (CID 2454556) is propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate.
What is the SMILES notation for propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate?
The canonical SMILES for propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate is CC(C)OC(=O)c1ccc(CN2C(=O)N[C@]3(CCOc4ccccc43)C2=O)o1.
What is the InChIKey of propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate?
The InChIKey is WDTNBWUNRGJAAS-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20N2O6/c1-12(2)27-17(23)16-8-7-13(28-16)11-22-18(24)20(21-19(22)25)9-10-26-15-6-4-3-5-14(15)20/h3-8,12H,9-11H2,1-2H3,(H,21,25)/t20-/m0/s1.
What are the key properties of propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate?
propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate has a molecular weight of 384.39 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-[[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]methyl]furan-2-carboxylate is sourced from PubChem (CID 2454556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).