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

C6H8N2O4 — CID 57312252

IUPAC(2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid
SMILESCN(C(=O)O)n1c(O)ccc1O
InChIInChI=1S/C6H8N2O4/c1-7(6(11)12)8-4(9)2-3-5(8)10/h2-3,9-10H,1H3,(H,11,12)
InChIKeyUZYBYBGCTZIPAN-UHFFFAOYSA-N
MW172.14 g/mol
LogP0.15
Rot. Bonds1

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

(2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid (PubChem CID 57312252) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid
PubChem CID57312252
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name(2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid
SMILESCN(C(=O)O)n1c(O)ccc1O
InChIInChI=1S/C6H8N2O4/c1-7(6(11)12)8-4(9)2-3-5(8)10/h2-3,9-10H,1H3,(H,11,12)
InChIKeyUZYBYBGCTZIPAN-UHFFFAOYSA-N
XLogP0.15
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2,5-dihydroxypyrrol-1-yl)-methylcarbamic 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) acetate
CID 53633352
(2,5-Dihydroxypyrrol-1-yl) hydrogen carbonate
CID 53696361
(2,5-Dihydroxypyrrol-1-yl) propanoate
CID 53941700
(2,5-Dihydroxypyrrol-1-yl)carbamic acid
CID 53961144
1-Ethylpyrrole-2,5-diol
CID 54068298
1-(2,5-Dihydroxypyrrol-1-yl)pyrrole-2,5-dione
CID 57001223
1-Hydrazinylpyrrole-2,5-diol
CID 91148052
1-Nitrosopyrrole-2,5-diol
CID 136025201
(2,5-Dihydroxypyrrol-1-yl) 2-tritioacetate
CID 53633348
(2,5-Dihydroxypyrrol-1-yl) 2,2-ditritioacetate
CID 53633349
(2,5-Dihydroxypyrrol-1-yl) 2-deuterioacetate
CID 53633350
(2,5-Dihydroxypyrrol-1-yl) 2,2,2-tritritioacetate
CID 53633351

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid (CID 57312252) is (2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid is CN(C(=O)O)n1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid?
The InChIKey is UZYBYBGCTZIPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-7(6(11)12)8-4(9)2-3-5(8)10/h2-3,9-10H,1H3,(H,11,12).
What are the key properties of (2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid?
(2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid has a molecular weight of 172.14 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl)-methylcarbamic acid is sourced from PubChem (CID 57312252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).