(2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate

C11H16N2O5 — CID 123602628

IUPAC(2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate
SMILESCCNC(=O)CCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H16N2O5/c1-2-12-8(14)4-3-5-11(17)18-13-9(15)6-7-10(13)16/h6-7,15-16H,2-5H2,1H3,(H,12,14)
InChIKeyNBPLFJOISDBVII-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.16
Rot. Bonds6

About (2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate

(2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate (PubChem CID 123602628) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate
PubChem CID123602628
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate
SMILESCCNC(=O)CCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H16N2O5/c1-2-12-8(14)4-3-5-11(17)18-13-9(15)6-7-10(13)16/h6-7,15-16H,2-5H2,1H3,(H,12,14)
InChIKeyNBPLFJOISDBVII-UHFFFAOYSA-N
XLogP0.16
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,5-dihydroxypyrrol-1-yl) (2S)-2,6-diaminohexanoate
CID 53858988
(2,5-Dihydroxypyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54539923
(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) 6-(nona-3,5-diynoylamino)-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 123293423
(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) 2-(2-sulfanylpropanoylamino)acetate
CID 90935387
(2,5-Dihydroxypyrrol-1-yl) 6-(6-deuteriohexan-2-ylamino)-6-oxohexanoate
CID 91158670

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate (CID 123602628) is (2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate is CCNC(=O)CCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate?
The InChIKey is NBPLFJOISDBVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-2-12-8(14)4-3-5-11(17)18-13-9(15)6-7-10(13)16/h6-7,15-16H,2-5H2,1H3,(H,12,14).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate?
(2,5-dihydroxypyrrol-1-yl) 5-(ethylamino)-5-oxopentanoate has a molecular weight of 256.26 g/mol, XLogP of 0.16, 6 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-(ethylamino)-5-oxopentanoate is sourced from PubChem (CID 123602628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).