(2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

C13H20N2O5 — CID 90934832

IUPAC(2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC1(C)CC(C(=O)On2c(O)ccc2O)C(C)(C)N1O
InChIInChI=1S/C13H20N2O5/c1-12(2)7-8(13(3,4)15(12)19)11(18)20-14-9(16)5-6-10(14)17/h5-6,8,16-17,19H,7H2,1-4H3
InChIKeyLYGVHVKCGDDCHS-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.12
Rot. Bonds2

About (2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate

(2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (PubChem CID 90934832) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
PubChem CID90934832
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name(2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate
SMILESCC1(C)CC(C(=O)On2c(O)ccc2O)C(C)(C)N1O
InChIInChI=1S/C13H20N2O5/c1-12(2)7-8(13(3,4)15(12)19)11(18)20-14-9(16)5-6-10(14)17/h5-6,8,16-17,19H,7H2,1-4H3
InChIKeyLYGVHVKCGDDCHS-UHFFFAOYSA-N
XLogP1.12
TPSA95.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrole-3-carboxylate
CID 53669639
(2,5-Dihydroxypyrrol-1-yl) hexanoate
CID 53776568
Bis(2,5-dihydroxypyrrol-1-yl) hexanedioate
CID 54240968
(2,5-Dihydroxypyrrol-1-yl) 3-methylbutanoate
CID 91597943
(2,5-Dihydroxypyrrol-1-yl) 2-ethylbutanoate
CID 53788688
(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) 2-ethyl-4-(2-oxopyrrolidin-1-yl)pentanoate
CID 53989263
(2,5-Dihydroxypyrrol-1-yl) 2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]-4-methylpentanoate
CID 54016281
(2,5-Dihydroxypyrrol-1-yl) cyclohexanecarboxylate
CID 54148134
(2,5-dihydroxypyrrol-1-yl) (2S,3S)-2-amino-3-methylpentanoate
CID 54261889
(2,5-Dihydroxypyrrol-1-yl) pentanoate
CID 54278860

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate (CID 90934832) is (2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is CC1(C)CC(C(=O)On2c(O)ccc2O)C(C)(C)N1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
The InChIKey is LYGVHVKCGDDCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-12(2)7-8(13(3,4)15(12)19)11(18)20-14-9(16)5-6-10(14)17/h5-6,8,16-17,19H,7H2,1-4H3.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate?
(2,5-dihydroxypyrrol-1-yl) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate has a molecular weight of 284.31 g/mol, XLogP of 1.12, 2 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) 1-hydroxy-2,2,5,5-tetramethylpyrrolidine-3-carboxylate is sourced from PubChem (CID 90934832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).