(2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate

C11H16N2O5 — CID 91164923

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate
SMILESCC(C)C(=O)NC(C)C(=O)On1c(O)ccc1O
InChIInChI=1S/C11H16N2O5/c1-6(2)10(16)12-7(3)11(17)18-13-8(14)4-5-9(13)15/h4-7,14-15H,1-3H3,(H,12,16)
InChIKeyUJWZGVRFLUGZRJ-UHFFFAOYSA-N
MW256.26 g/mol
LogP0.02
Rot. Bonds4

About (2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate

(2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate (PubChem CID 91164923) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate
PubChem CID91164923
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate
SMILESCC(C)C(=O)NC(C)C(=O)On1c(O)ccc1O
InChIInChI=1S/C11H16N2O5/c1-6(2)10(16)12-7(3)11(17)18-13-8(14)4-5-9(13)15/h4-7,14-15H,1-3H3,(H,12,16)
InChIKeyUJWZGVRFLUGZRJ-UHFFFAOYSA-N
XLogP0.02
TPSA100.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 50.02
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-(2-methylpropanoylamino)propanoate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate (CID 91164923) is (2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate is CC(C)C(=O)NC(C)C(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate?
The InChIKey is UJWZGVRFLUGZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-6(2)10(16)12-7(3)11(17)18-13-8(14)4-5-9(13)15/h4-7,14-15H,1-3H3,(H,12,16).
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate?
(2,5-dihydroxypyrrol-1-yl) 2-(2-methylpropanoylamino)propanoate has a molecular weight of 256.26 g/mol, XLogP of 0.02, 4 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-(2-methylpropanoylamino)propanoate is sourced from PubChem (CID 91164923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).