(2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate

C7H10N2O4 — CID 91099884

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate
SMILESCC(N)C(=O)On1c(O)ccc1O
InChIInChI=1S/C7H10N2O4/c1-4(8)7(12)13-9-5(10)2-3-6(9)11/h2-4,10-11H,8H2,1H3
InChIKeyVVZXTPDZBBJIIR-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.80
Rot. Bonds2

About (2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate

(2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate (PubChem CID 91099884) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate
PubChem CID91099884
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate
SMILESCC(N)C(=O)On1c(O)ccc1O
InChIInChI=1S/C7H10N2O4/c1-4(8)7(12)13-9-5(10)2-3-6(9)11/h2-4,10-11H,8H2,1H3
InChIKeyVVZXTPDZBBJIIR-UHFFFAOYSA-N
XLogP-0.80
TPSA97.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate (CID 91099884) is (2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate is CC(N)C(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate?
The InChIKey is VVZXTPDZBBJIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-4(8)7(12)13-9-5(10)2-3-6(9)11/h2-4,10-11H,8H2,1H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate?
(2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate has a molecular weight of 186.17 g/mol, XLogP of -0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-aminopropanoate is sourced from PubChem (CID 91099884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).