2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid

C6H8N2O4 — CID 90991946

IUPAC2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid
SMILESO=C(O)CNn1c(O)ccc1O
InChIInChI=1S/C6H8N2O4/c9-4-1-2-5(10)8(4)7-3-6(11)12/h1-2,7,9-10H,3H2,(H,11,12)
InChIKeyMLKCMIQQVVQXGK-UHFFFAOYSA-N
MW172.14 g/mol
LogP-0.47
Rot. Bonds3

About 2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid

2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid (PubChem CID 90991946) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid
PubChem CID90991946
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid
SMILESO=C(O)CNn1c(O)ccc1O
InChIInChI=1S/C6H8N2O4/c9-4-1-2-5(10)8(4)7-3-6(11)12/h1-2,7,9-10H,3H2,(H,11,12)
InChIKeyMLKCMIQQVVQXGK-UHFFFAOYSA-N
XLogP-0.47
TPSA94.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-0.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl)carbamic acid
CID 53961144
(2,5-Dihydroxypyrrol-1-yl)-methylcarbamic acid
CID 57312252
1-Hydrazinylpyrrole-2,5-diol
CID 91148052
(4S)-4-[(2,5-dihydroxypyrrol-1-yl)amino]-5-oxopentanoic acid
CID 90975862
(2,5-Dihydroxypyrrol-1-yl)urea
CID 53665703
(2,5-Dihydroxypyrrol-1-yl) 2-aminoacetate
CID 53728945
1-Aminopyrrole-2,5-diol
CID 53803811
(2R)-2-amino-3-(2,5-dihydroxypyrrol-1-yl)sulfanylpropanoic acid
CID 53878053
N-(2,5-dihydroxypyrrol-1-yl)formamide
CID 53887383
N'-(2,5-dihydroxypyrrol-1-yl)butanediamide
CID 54082843
N-(2,5-dihydroxypyrrol-1-yl)-2-iodoacetamide
CID 54125293
(2,5-Dihydroxypyrrol-1-yl) 3-aminopropanoate
CID 54347379

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid?
The IUPAC name of 2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid (CID 90991946) is 2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid.
What is the SMILES notation for 2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid?
The canonical SMILES for 2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid is O=C(O)CNn1c(O)ccc1O.
What is the InChIKey of 2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid?
The InChIKey is MLKCMIQQVVQXGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c9-4-1-2-5(10)8(4)7-3-6(11)12/h1-2,7,9-10H,3H2,(H,11,12).
What are the key properties of 2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid?
2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid has a molecular weight of 172.14 g/mol, XLogP of -0.47, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dihydroxypyrrol-1-yl)amino]acetic acid is sourced from PubChem (CID 90991946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).