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

C10H14N2O5 — CID 91009213

IUPAC(2,5-dihydroxypyrrol-1-yl) 5-(methylamino)-5-oxopentanoate
SMILESCNC(=O)CCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C10H14N2O5/c1-11-7(13)3-2-4-10(16)17-12-8(14)5-6-9(12)15/h5-6,14-15H,2-4H2,1H3,(H,11,13)
InChIKeyVNEJRODJXRECOF-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.23
Rot. Bonds5

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

(2,5-dihydroxypyrrol-1-yl) 5-(methylamino)-5-oxopentanoate (PubChem CID 91009213) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 5-(methylamino)-5-oxopentanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 5-(methylamino)-5-oxopentanoate
PubChem CID91009213
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 5-(methylamino)-5-oxopentanoate
SMILESCNC(=O)CCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C10H14N2O5/c1-11-7(13)3-2-4-10(16)17-12-8(14)5-6-9(12)15/h5-6,14-15H,2-4H2,1H3,(H,11,13)
InChIKeyVNEJRODJXRECOF-UHFFFAOYSA-N
XLogP-0.23
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dihydroxypyrrol-1-yl) (2S)-2,6-diaminohexanoate
CID 53858988
5-(2,5-Dihydroxypyrrol-1-yl)oxy-5-oxopentanoic acid
CID 54518514
(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) 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-(methylamino)-5-oxopentanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-(methylamino)-5-oxopentanoate (CID 91009213) is (2,5-dihydroxypyrrol-1-yl) 5-(methylamino)-5-oxopentanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 5-(methylamino)-5-oxopentanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 5-(methylamino)-5-oxopentanoate is CNC(=O)CCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 5-(methylamino)-5-oxopentanoate?
The InChIKey is VNEJRODJXRECOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-11-7(13)3-2-4-10(16)17-12-8(14)5-6-9(12)15/h5-6,14-15H,2-4H2,1H3,(H,11,13).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 5-(methylamino)-5-oxopentanoate?
(2,5-dihydroxypyrrol-1-yl) 5-(methylamino)-5-oxopentanoate has a molecular weight of 242.23 g/mol, XLogP of -0.23, 5 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-(methylamino)-5-oxopentanoate is sourced from PubChem (CID 91009213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).