2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid

C6H8N2O4 — CID 54545046

IUPAC2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid
SMILESO=C(O)CNc1cc(O)[nH]c1O
InChIInChI=1S/C6H8N2O4/c9-4-1-3(6(12)8-4)7-2-5(10)11/h1,7-9,12H,2H2,(H,10,11)
InChIKeyZFXVUOFAAWORGX-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.08
Rot. Bonds3

About 2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid

2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid (PubChem CID 54545046) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid
PubChem CID54545046
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid
SMILESO=C(O)CNc1cc(O)[nH]c1O
InChIInChI=1S/C6H8N2O4/c9-4-1-3(6(12)8-4)7-2-5(10)11/h1,7-9,12H,2H2,(H,10,11)
InChIKeyZFXVUOFAAWORGX-UHFFFAOYSA-N
XLogP-0.08
TPSA105.58 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1H-pyrrole-2,5-diol
CID 53947578
1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrole-2,5-diol
CID 54353036
3-(methylamino)-1H-pyrrole-2,5-diol
CID 91398721
3-Amino-1-methylpyrrole-2,5-diol
CID 53798084
1-(2,5-dihydroxy-1H-pyrrol-3-yl)pyrrolidin-2-one
CID 54206817
tert-butyl N-(2,5-dihydroxy-1H-pyrrol-3-yl)carbamate
CID 54318666
N-(1,2,5-trihydroxypyrrol-3-yl)acetamide
CID 54523654
3-pyrrolidin-1-yl-1H-pyrrole-2,5-diol
CID 54541041
3-(2,5-dihydroxy-1H-pyrrol-3-yl)-5-hydroxy-1H-imidazol-2-one
CID 57074229
3-[dodecyl(octyl)amino]-1H-pyrrole-2,5-diol
CID 57076371
3-(butylamino)-1H-pyrrole-2,5-diol
CID 90700545
3-(hydroxyamino)-1H-pyrrole-2,5-diol
CID 90855594

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid (CID 54545046) is 2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid is O=C(O)CNc1cc(O)[nH]c1O.
What is the InChIKey of 2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid?
The InChIKey is ZFXVUOFAAWORGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c9-4-1-3(6(12)8-4)7-2-5(10)11/h1,7-9,12H,2H2,(H,10,11).
What are the key properties of 2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid?
2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid has a molecular weight of 172.14 g/mol, XLogP of -0.08, 3 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dihydroxy-1H-pyrrol-3-yl)amino]acetic acid is sourced from PubChem (CID 54545046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).