(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate

C12H18N2O5 — CID 123659598

IUPAC(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate
SMILESCCCNC(=O)CCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C12H18N2O5/c1-2-8-13-9(15)4-3-5-12(18)19-14-10(16)6-7-11(14)17/h6-7,16-17H,2-5,8H2,1H3,(H,13,15)
InChIKeyHNJVAMUXWBTPPK-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.55
Rot. Bonds7

About (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate

(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate (PubChem CID 123659598) has the molecular formula C12H18N2O5 and a molecular weight of 270.28 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate
PubChem CID123659598
Molecular FormulaC12H18N2O5
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate
SMILESCCCNC(=O)CCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C12H18N2O5/c1-2-8-13-9(15)4-3-5-12(18)19-14-10(16)6-7-11(14)17/h6-7,16-17H,2-5,8H2,1H3,(H,13,15)
InChIKeyHNJVAMUXWBTPPK-UHFFFAOYSA-N
XLogP0.55
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.55
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
(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-oxo-5-(propylamino)pentanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate (CID 123659598) is (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate is CCCNC(=O)CCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate?
The InChIKey is HNJVAMUXWBTPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O5/c1-2-8-13-9(15)4-3-5-12(18)19-14-10(16)6-7-11(14)17/h6-7,16-17H,2-5,8H2,1H3,(H,13,15).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate?
(2,5-dihydroxypyrrol-1-yl) 5-oxo-5-(propylamino)pentanoate has a molecular weight of 270.28 g/mol, XLogP of 0.55, 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-oxo-5-(propylamino)pentanoate is sourced from PubChem (CID 123659598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).