[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate

C17H28N4O6 — CID 7617460

IUPAC[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
SMILESCCCC1(CCC)NC(=O)N(CC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)C1=O
InChIInChI=1S/C17H28N4O6/c1-5-7-17(8-6-2)14(24)21(16(26)20-17)9-11(22)27-12(10(3)4)13(23)19-15(18)25/h10,12H,5-9H2,1-4H3,(H,20,26)(H3,18,19,23,25)/t12-/m1/s1
InChIKeyFEXHHRDSGRRZDS-GFCCVEGCSA-N
MW384.43 g/mol
LogP0.64
Rot. Bonds9

About [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate

[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate (PubChem CID 7617460) has the molecular formula C17H28N4O6 and a molecular weight of 384.43 g/mol. Its IUPAC name is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
PubChem CID7617460
Molecular FormulaC17H28N4O6
Molecular Weight384.43 g/mol
Exact Mass384.20
IUPAC Name[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
SMILESCCCC1(CCC)NC(=O)N(CC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)C1=O
InChIInChI=1S/C17H28N4O6/c1-5-7-17(8-6-2)14(24)21(16(26)20-17)9-11(22)27-12(10(3)4)13(23)19-15(18)25/h10,12H,5-9H2,1-4H3,(H,20,26)(H3,18,19,23,25)/t12-/m1/s1
InChIKeyFEXHHRDSGRRZDS-GFCCVEGCSA-N
XLogP0.64
TPSA147.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-1-(methoxycarbonylamino)-1-oxopropan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8982136
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8982234
[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8982311
[(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 11923718
[2-(cyclopropylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617522
[1-(carbamoylamino)-1-oxopropan-2-yl] 2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetate
CID 42986942
[(2R)-1-(2,4-dimethylanilino)-1-oxopropan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8982182
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-(2-methylpropyl)acetamide
CID 7241972
[2-(cyclopentylamino)-2-oxoethyl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617533
[(2S)-1-(2,3-dihydro-1H-inden-5-ylamino)-1-oxopropan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8982293
benzyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 7617485
phenyl 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate
CID 8765116

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The IUPAC name of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate (CID 7617460) is [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate.
What is the SMILES notation for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The canonical SMILES for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate is CCCC1(CCC)NC(=O)N(CC(=O)O[C@@H](C(=O)NC(N)=O)C(C)C)C1=O.
What is the InChIKey of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
The InChIKey is FEXHHRDSGRRZDS-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H28N4O6/c1-5-7-17(8-6-2)14(24)21(16(26)20-17)9-11(22)27-12(10(3)4)13(23)19-15(18)25/h10,12H,5-9H2,1-4H3,(H,20,26)(H3,18,19,23,25)/t12-/m1/s1.
What are the key properties of [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate?
[(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate has a molecular weight of 384.43 g/mol, XLogP of 0.64, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)acetate is sourced from PubChem (CID 7617460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).