(2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid

C5H6N2O5 — CID 54462138

IUPAC(2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid
SMILESO=C(O)N(O)n1c(O)ccc1O
InChIInChI=1S/C5H6N2O5/c8-3-1-2-4(9)6(3)7(12)5(10)11/h1-2,8-9,12H,(H,10,11)
InChIKeyXCIONIIGZMWPEN-UHFFFAOYSA-N
MW174.11 g/mol
LogP-0.10
Rot. Bonds1

About (2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid

(2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid (PubChem CID 54462138) has the molecular formula C5H6N2O5 and a molecular weight of 174.11 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid
PubChem CID54462138
Molecular FormulaC5H6N2O5
Molecular Weight174.11 g/mol
Exact Mass174.03
IUPAC Name(2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid
SMILESO=C(O)N(O)n1c(O)ccc1O
InChIInChI=1S/C5H6N2O5/c8-3-1-2-4(9)6(3)7(12)5(10)11/h1-2,8-9,12H,(H,10,11)
InChIKeyXCIONIIGZMWPEN-UHFFFAOYSA-N
XLogP-0.10
TPSA106.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid 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-trifluoroacetate
CID 54515596
(2,5-Dihydroxypyrrol-1-yl) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) prop-2-enoate
CID 53643718
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
1-Iodopyrrole-2,5-diol
CID 53748320
1-Chloropyrrole-2,5-diol
CID 53783263
Bis(2,5-dihydroxypyrrol-1-yl) carbonate
CID 53830932
1-Hydroxypyrrole-2,5-diol
CID 53887891
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
(2,5-Dihydroxypyrrol-1-yl)carbamic acid
CID 53961144
(2,5-Dihydroxypyrrol-1-yl) butanoate
CID 54133325
(2,5-Dihydroxypyrrol-1-yl) 2-bromoacetate
CID 54138195

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid (CID 54462138) is (2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid is O=C(O)N(O)n1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid?
The InChIKey is XCIONIIGZMWPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O5/c8-3-1-2-4(9)6(3)7(12)5(10)11/h1-2,8-9,12H,(H,10,11).
What are the key properties of (2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid?
(2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid has a molecular weight of 174.11 g/mol, XLogP of -0.10, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl)-hydroxycarbamic acid is sourced from PubChem (CID 54462138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).