(2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate

C15H23N3O5 — CID 123779721

IUPAC(2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate
SMILESC[C@@H]1NC(=O)N(C)[C@@H]1CCCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C15H23N3O5/c1-10-11(17(2)15(22)16-10)6-4-3-5-7-14(21)23-18-12(19)8-9-13(18)20/h8-11,19-20H,3-7H2,1-2H3,(H,16,22)/t10-,11+/m0/s1
InChIKeyLFBRVKUEBSKLJQ-WDEREUQCSA-N
MW325.37 g/mol
LogP1.22
Rot. Bonds7

About (2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate

(2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate (PubChem CID 123779721) has the molecular formula C15H23N3O5 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate
PubChem CID123779721
Molecular FormulaC15H23N3O5
Molecular Weight325.37 g/mol
Exact Mass325.16
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate
SMILESC[C@@H]1NC(=O)N(C)[C@@H]1CCCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C15H23N3O5/c1-10-11(17(2)15(22)16-10)6-4-3-5-7-14(21)23-18-12(19)8-9-13(18)20/h8-11,19-20H,3-7H2,1-2H3,(H,16,22)/t10-,11+/m0/s1
InChIKeyLFBRVKUEBSKLJQ-WDEREUQCSA-N
XLogP1.22
TPSA104.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate with MolForge

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Related Compounds

CID 54153931
CID 54153931
(2,5-dihydroxypyrrol-1-yl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoate
CID 54153932
(2,5-Dihydroxypyrrol-1-yl) 12-[(2,2,2-trifluoroacetyl)amino]dodecanoate
CID 90785219
(2,5-Dihydroxypyrrol-1-yl) 6-(6-deuteriohexan-2-ylamino)-6-oxohexanoate
CID 91158670
(2,5-Dihydroxypyrrol-1-yl) 6-formamidohexanoate
CID 53633447
5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-[[6-(2,5-dihydroxypyrrol-1-yl)oxy-6-oxohexyl]amino]pentanoic acid
CID 53670771
(2,5-dihydroxypyrrol-1-yl) 11-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-7-oxoundecanoate
CID 53701744
(2,5-dihydroxypyrrol-1-yl) 6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]hexanoate
CID 53726237
(2,5-Dihydroxypyrrol-1-yl) 6-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]hexanoate
CID 53726238
(2,5-Dihydroxypyrrol-1-yl) 6-(2-methylprop-2-enoylamino)hexanoate
CID 53745223
(2,5-Dihydroxypyrrol-1-yl) 6-[(2-iodoacetyl)amino]hexanoate
CID 53775544
(2,5-dihydroxypyrrol-1-yl) 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-2-aminopentanoate
CID 53787271

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate (CID 123779721) is (2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate is C[C@@H]1NC(=O)N(C)[C@@H]1CCCCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate?
The InChIKey is LFBRVKUEBSKLJQ-WDEREUQCSA-N. The full InChI is InChI=1S/C15H23N3O5/c1-10-11(17(2)15(22)16-10)6-4-3-5-7-14(21)23-18-12(19)8-9-13(18)20/h8-11,19-20H,3-7H2,1-2H3,(H,16,22)/t10-,11+/m0/s1.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate?
(2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate has a molecular weight of 325.37 g/mol, XLogP of 1.22, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 6-[(4R,5S)-3,5-dimethyl-2-oxoimidazolidin-4-yl]hexanoate is sourced from PubChem (CID 123779721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).