[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate

C18H21N3O6 — CID 8602945

IUPAC[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
SMILESCCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O
InChIInChI=1S/C18H21N3O6/c1-3-19-15(23)11(2)27-14(22)10-21-16(24)18(20-17(21)25)8-9-26-13-7-5-4-6-12(13)18/h4-7,11H,3,8-10H2,1-2H3,(H,19,23)(H,20,25)/t11-,18-/m0/s1
InChIKeyBKQMNRFMURDLKE-VOJFVSQTSA-N
MW375.38 g/mol
LogP0.28
Rot. Bonds5

About [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate

[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate (PubChem CID 8602945) has the molecular formula C18H21N3O6 and a molecular weight of 375.38 g/mol. Its IUPAC name is [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate.

Molecular Properties

Compound Name[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
PubChem CID8602945
Molecular FormulaC18H21N3O6
Molecular Weight375.38 g/mol
Exact Mass375.14
IUPAC Name[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
SMILESCCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O
InChIInChI=1S/C18H21N3O6/c1-3-19-15(23)11(2)27-14(22)10-21-16(24)18(20-17(21)25)8-9-26-13-7-5-4-6-12(13)18/h4-7,11H,3,8-10H2,1-2H3,(H,19,23)(H,20,25)/t11-,18-/m0/s1
InChIKeyBKQMNRFMURDLKE-VOJFVSQTSA-N
XLogP0.28
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(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
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)acetic acid
CID 3761688
[2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
CID 7711282
2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 40791325
[(2R)-1-(ethylamino)-1-oxopropan-2-yl] 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)acetate
CID 8630923
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N,N-bis(2-methylpropyl)acetamide
CID 2442723
2-(2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl)-N-(5-methylhexan-2-yl)acetamide
CID 17435318
3'-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]spiro[2,3-dihydrochromene-4,5'-imidazolidine]-2',4'-dione
CID 42898870
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2087993
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate
CID 7711218
2-[(4R)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 2442742

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate?
The IUPAC name of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate (CID 8602945) is [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate.
What is the SMILES notation for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate?
The canonical SMILES for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate is CCNC(=O)[C@H](C)OC(=O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O.
What is the InChIKey of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate?
The InChIKey is BKQMNRFMURDLKE-VOJFVSQTSA-N. The full InChI is InChI=1S/C18H21N3O6/c1-3-19-15(23)11(2)27-14(22)10-21-16(24)18(20-17(21)25)8-9-26-13-7-5-4-6-12(13)18/h4-7,11H,3,8-10H2,1-2H3,(H,19,23)(H,20,25)/t11-,18-/m0/s1.
What are the key properties of [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate?
[(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate has a molecular weight of 375.38 g/mol, XLogP of 0.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(ethylamino)-1-oxopropan-2-yl] 2-[(4S)-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-1'-yl]acetate is sourced from PubChem (CID 8602945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).