(2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate

C13H14N4O9 — CID 54291389

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate
SMILESO=C(NCC(=O)On1c(O)ccc1O)NCC(=O)On1c(O)ccc1O
InChIInChI=1S/C13H14N4O9/c18-7-1-2-8(19)16(7)25-11(22)5-14-13(24)15-6-12(23)26-17-9(20)3-4-10(17)21/h1-4,18-21H,5-6H2,(H2,14,15,24)
InChIKeyRXTJYHXDORJSMY-UHFFFAOYSA-N
MW370.27 g/mol
LogP-1.98
Rot. Bonds6

About (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate

(2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate (PubChem CID 54291389) has the molecular formula C13H14N4O9 and a molecular weight of 370.27 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate
PubChem CID54291389
Molecular FormulaC13H14N4O9
Molecular Weight370.27 g/mol
Exact Mass370.08
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate
SMILESO=C(NCC(=O)On1c(O)ccc1O)NCC(=O)On1c(O)ccc1O
InChIInChI=1S/C13H14N4O9/c18-7-1-2-8(19)16(7)25-11(22)5-14-13(24)15-6-12(23)26-17-9(20)3-4-10(17)21/h1-4,18-21H,5-6H2,(H2,14,15,24)
InChIKeyRXTJYHXDORJSMY-UHFFFAOYSA-N
XLogP-1.98
TPSA184.51 Ų
H-Bond Donors6
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500370.27
LogP ≤ 5-1.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1011

Analyze (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate 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) 2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 90885722
(2,5-Dihydroxypyrrol-1-yl) 2-(2-sulfanylpropanoylamino)acetate
CID 90935387
(2,5-Dihydroxypyrrol-1-yl) 2-aminoacetate
CID 53728945
(2,5-Dihydroxypyrrol-1-yl) 2-acetamidoacetate
CID 53922588
(2,5-Dihydroxypyrrol-1-yl) 2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]acetate
CID 53928962
(2,5-Dihydroxypyrrol-1-yl) 2-(2,5-dioxopyrrol-1-yl)acetate
CID 53951731
(2,5-Dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 54054803
(2,5-dihydroxypyrrol-1-yl) (2S)-2-acetamido-4-[[3-acetamido-4-(2,5-dihydroxypyrrol-1-yl)oxy-4-oxobutyl]disulfanyl]butanoate
CID 54135286
(2,5-Dihydroxypyrrol-1-yl) 2-[(2-bromoacetyl)amino]acetate
CID 54488983
(2,5-Dihydroxypyrrol-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 54507553
(2,5-Dihydroxypyrrol-1-yl) 2-(2-oxopyrrolidin-1-yl)acetate
CID 54530056
2-[2-Aminoethyl-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]amino]acetic acid
CID 57059522

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate (CID 54291389) is (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate is O=C(NCC(=O)On1c(O)ccc1O)NCC(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate?
The InChIKey is RXTJYHXDORJSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O9/c18-7-1-2-8(19)16(7)25-11(22)5-14-13(24)15-6-12(23)26-17-9(20)3-4-10(17)21/h1-4,18-21H,5-6H2,(H2,14,15,24).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate?
(2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate has a molecular weight of 370.27 g/mol, XLogP of -1.98, 6 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-[[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]carbamoylamino]acetate is sourced from PubChem (CID 54291389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).