(2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate

C11H15IN2O5 — CID 91326350

IUPAC(2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate
SMILESO=C(CI)NCCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H15IN2O5/c12-7-8(15)13-6-2-1-3-11(18)19-14-9(16)4-5-10(14)17/h4-5,16-17H,1-3,6-7H2,(H,13,15)
InChIKeyGULVBLXSJQGCFD-UHFFFAOYSA-N
MW382.15 g/mol
LogP0.58
Rot. Bonds7

About (2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate

(2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate (PubChem CID 91326350) has the molecular formula C11H15IN2O5 and a molecular weight of 382.15 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate
PubChem CID91326350
Molecular FormulaC11H15IN2O5
Molecular Weight382.15 g/mol
Exact Mass382.00
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate
SMILESO=C(CI)NCCCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H15IN2O5/c12-7-8(15)13-6-2-1-3-11(18)19-14-9(16)4-5-10(14)17/h4-5,16-17H,1-3,6-7H2,(H,13,15)
InChIKeyGULVBLXSJQGCFD-UHFFFAOYSA-N
XLogP0.58
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.15
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) (2S)-2,6-diaminohexanoate
CID 53858988
(2,5-Dihydroxypyrrol-1-yl) 6-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 54125299
(2,5-Dihydroxypyrrol-1-yl) 12-[(2,2,2-trifluoroacetyl)amino]dodecanoate
CID 90785219
(2,5-Dihydroxypyrrol-1-yl) 3-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 90957654
(2,5-Dihydroxypyrrol-1-yl) 4-[(2,2,2-trifluoroacetyl)amino]butanoate
CID 91465498
(2,5-Dihydroxypyrrol-1-yl) 5-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 91522402
(2,5-dihydroxypyrrol-1-yl) (2S)-6-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 123560838
(2,5-Dihydroxypyrrol-1-yl) 5-(5-fluoro-2,4-dioxopyrimidin-1-yl)pentanoate
CID 123963877
(2,5-Dihydroxypyrrol-1-yl) 6-(6-deuteriohexan-2-ylamino)-6-oxohexanoate
CID 91158670
(2,5-Dihydroxypyrrol-1-yl) 6-formamidohexanoate
CID 53633447
(2,5-Dihydroxypyrrol-1-yl) 3-[(2-bromoacetyl)amino]propanoate
CID 53685413
(2,5-dihydroxypyrrol-1-yl) (2S)-2-acetamido-4-methylpentanoate
CID 53696439

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate (CID 91326350) is (2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate is O=C(CI)NCCCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate?
The InChIKey is GULVBLXSJQGCFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2O5/c12-7-8(15)13-6-2-1-3-11(18)19-14-9(16)4-5-10(14)17/h4-5,16-17H,1-3,6-7H2,(H,13,15).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate?
(2,5-dihydroxypyrrol-1-yl) 5-[(2-iodoacetyl)amino]pentanoate has a molecular weight of 382.15 g/mol, XLogP of 0.58, 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) 5-[(2-iodoacetyl)amino]pentanoate is sourced from PubChem (CID 91326350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).