(2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate

C11H14N2O5 — CID 54156035

IUPAC(2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate
SMILESC=C(C)C(=O)NCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H14N2O5/c1-7(2)11(17)12-6-5-10(16)18-13-8(14)3-4-9(13)15/h3-4,14-15H,1,5-6H2,2H3,(H,12,17)
InChIKeyOLCOEZURZQFYRK-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.06
Rot. Bonds5

About (2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate

(2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate (PubChem CID 54156035) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate
PubChem CID54156035
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate
SMILESC=C(C)C(=O)NCCC(=O)On1c(O)ccc1O
InChIInChI=1S/C11H14N2O5/c1-7(2)11(17)12-6-5-10(16)18-13-8(14)3-4-9(13)15/h3-4,14-15H,1,5-6H2,2H3,(H,12,17)
InChIKeyOLCOEZURZQFYRK-UHFFFAOYSA-N
XLogP-0.06
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
(2,5-Dihydroxypyrrol-1-yl) 2-methylprop-2-enoate
CID 54196822
(2,5-Dihydroxypyrrol-1-yl) 6-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 54125299
(2,5-dihydroxypyrrol-1-yl) 4-(5-fluoro-2,4-dioxo-1H-pyrimidin-3-yl)butanoate
CID 90873769
(2,5-Dihydroxypyrrol-1-yl) 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 90885722
(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) 2,3,5,6-tetrafluoro-4-(methylamino)cyclohexa-1,5-diene-1-carboxylate
CID 123254720
(2,5-Dihydroxypyrrol-1-yl) 3-(5-fluoro-2,4-dioxopyrimidin-1-yl)propanoate
CID 123881721
(2,5-Dihydroxypyrrol-1-yl) 2-(2-sulfanylpropanoylamino)acetate
CID 90935387

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate (CID 54156035) is (2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate is C=C(C)C(=O)NCCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate?
The InChIKey is OLCOEZURZQFYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c1-7(2)11(17)12-6-5-10(16)18-13-8(14)3-4-9(13)15/h3-4,14-15H,1,5-6H2,2H3,(H,12,17).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate?
(2,5-dihydroxypyrrol-1-yl) 3-(2-methylprop-2-enoylamino)propanoate has a molecular weight of 254.24 g/mol, XLogP of -0.06, 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) 3-(2-methylprop-2-enoylamino)propanoate is sourced from PubChem (CID 54156035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).