(2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate

C10H12N2O5 — CID 57044979

IUPAC(2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate
SMILESC[C@@H]1CCC(=O)N1C(=O)On1c(O)ccc1O
InChIInChI=1S/C10H12N2O5/c1-6-2-3-7(13)11(6)10(16)17-12-8(14)4-5-9(12)15/h4-6,14-15H,2-3H2,1H3/t6-/m1/s1
InChIKeyOOUKDCJKXJNECJ-ZCFIWIBFSA-N
MW240.21 g/mol
LogP0.46
Rot. Bonds1

About (2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate

(2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate (PubChem CID 57044979) has the molecular formula C10H12N2O5 and a molecular weight of 240.21 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate
PubChem CID57044979
Molecular FormulaC10H12N2O5
Molecular Weight240.21 g/mol
Exact Mass240.07
IUPAC Name(2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate
SMILESC[C@@H]1CCC(=O)N1C(=O)On1c(O)ccc1O
InChIInChI=1S/C10H12N2O5/c1-6-2-3-7(13)11(6)10(16)17-12-8(14)4-5-9(12)15/h4-6,14-15H,2-3H2,1H3/t6-/m1/s1
InChIKeyOOUKDCJKXJNECJ-ZCFIWIBFSA-N
XLogP0.46
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 3-(2,5-dioxopyrrol-1-yl)propanoate
CID 53720774
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)butanoate
CID 53902524
(2,5-Dihydroxypyrrol-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 54539923
[4-(2,5-Dihydroxypyrrol-1-yl)oxy-4-oxobutyl]-trimethylazanium
CID 90703472
1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-4-fluoropyrrolidine-1,2-dicarboxylate
CID 91291927
(2,5-Dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
CID 123612673
(2,5-Dihydroxypyrrol-1-yl) 6-(6-deuteriohexan-2-ylamino)-6-oxohexanoate
CID 91158670
(2,5-Dioxopyrrol-1-yl) 2-(2,5-dihydroxypyrrol-1-yl)propanoate
CID 53638151
[3-(2,5-Dihydroxypyrrol-1-yl)-2-oxoazetidin-1-yl] acetate
CID 53672248
(2,5-Dihydroxypyrrol-1-yl) 4-[(2-iodoacetyl)amino]butanoate
CID 53697571
(2,5-Dihydroxypyrrol-1-yl) 4-[6-(prop-2-enoylamino)hexanoylamino]butanoate
CID 53710762
(2,5-Dihydroxypyrrol-1-yl) 4-(2,5-dioxopyrrol-1-yl)hexanoate
CID 53866411

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate (CID 57044979) is (2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate is C[C@@H]1CCC(=O)N1C(=O)On1c(O)ccc1O.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate?
The InChIKey is OOUKDCJKXJNECJ-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12N2O5/c1-6-2-3-7(13)11(6)10(16)17-12-8(14)4-5-9(12)15/h4-6,14-15H,2-3H2,1H3/t6-/m1/s1.
What are the key properties of (2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate?
(2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate has a molecular weight of 240.21 g/mol, XLogP of 0.46, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl) (2R)-2-methyl-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 57044979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).