(2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate

C15H24N2O5 — CID 91363910

IUPAC(2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate
SMILESCC1(C)CC(CC(=O)On2c(O)ccc2O)CC(C)(C)N1O
InChIInChI=1S/C15H24N2O5/c1-14(2)8-10(9-15(3,4)17(14)21)7-13(20)22-16-11(18)5-6-12(16)19/h5-6,10,18-19,21H,7-9H2,1-4H3
InChIKeyPWNZRSSMUQTGOT-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.90
Rot. Bonds3

About (2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate

(2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate (PubChem CID 91363910) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate
PubChem CID91363910
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate
SMILESCC1(C)CC(CC(=O)On2c(O)ccc2O)CC(C)(C)N1O
InChIInChI=1S/C15H24N2O5/c1-14(2)8-10(9-15(3,4)17(14)21)7-13(20)22-16-11(18)5-6-12(16)19/h5-6,10,18-19,21H,7-9H2,1-4H3
InChIKeyPWNZRSSMUQTGOT-UHFFFAOYSA-N
XLogP1.90
TPSA95.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) cyclopentanecarboxylate
CID 53810990
2-[8-(2,5-Dihydroxypyrrol-1-yl)oxy-8-oxooctyl]dodecanoic acid
CID 53886180
(2,5-Dihydroxypyrrol-1-yl) cyclohexanecarboxylate
CID 54148134
(2,5-Dihydroxypyrrol-1-yl) 2-methylpentanoate
CID 54421395
(2,5-Dihydroxypyrrol-1-yl) 4-methylpentanoate
CID 54564838
(2,5-Dihydroxypyrrol-1-yl) 5-methyl-4-methylidenehexanoate
CID 90756814
(2,5-Dihydroxypyrrol-1-yl) 4-imino-5-methylhexanoate
CID 90790991
(2,5-Dihydroxypyrrol-1-yl) 5-methyl-4-oxohexanoate
CID 90888222
(2,5-Dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
CID 90934832
(2,5-Dihydroxypyrrol-1-yl) 4-propan-2-ylcyclohexane-1-carboxylate
CID 91044349
(2,5-Dihydroxypyrrol-1-yl) 6-methoxy-2-methylheptanoate
CID 91056222
4-(2,5-Dihydroxypyrrol-1-yl)oxycarbonylhexanoic acid
CID 91073701

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate (CID 91363910) is (2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate is CC1(C)CC(CC(=O)On2c(O)ccc2O)CC(C)(C)N1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate?
The InChIKey is PWNZRSSMUQTGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-14(2)8-10(9-15(3,4)17(14)21)7-13(20)22-16-11(18)5-6-12(16)19/h5-6,10,18-19,21H,7-9H2,1-4H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate?
(2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate has a molecular weight of 312.37 g/mol, XLogP of 1.90, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) 2-(1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl)acetate is sourced from PubChem (CID 91363910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).