(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one

C11H17NO7 — CID 158455551

IUPAC(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.C5H9NO/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-6-4-2-3-5(6)7/h2,5,7-10H,1H2;2-4H2,1H3/t2-,5+;/m0./s1
InChIKeyHENHFPDRYJUFHG-RXSVEWSESA-N
MW275.26 g/mol
LogP-1.17
Rot. Bonds2

About (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one

(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one (PubChem CID 158455551) has the molecular formula C11H17NO7 and a molecular weight of 275.26 g/mol. Its IUPAC name is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one
PubChem CID158455551
Molecular FormulaC11H17NO7
Molecular Weight275.26 g/mol
Exact Mass275.10
IUPAC Name(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O
InChIInChI=1S/C6H8O6.C5H9NO/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-6-4-2-3-5(6)7/h2,5,7-10H,1H2;2-4H2,1H3/t2-,5+;/m0./s1
InChIKeyHENHFPDRYJUFHG-RXSVEWSESA-N
XLogP-1.17
TPSA127.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one?
The IUPAC name of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one (CID 158455551) is (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one.
What is the SMILES notation for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one?
The canonical SMILES for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one is CN1CCCC1=O.O=C1O[C@H]([C@@H](O)CO)C(O)=C1O.
What is the InChIKey of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one?
The InChIKey is HENHFPDRYJUFHG-RXSVEWSESA-N. The full InChI is InChI=1S/C6H8O6.C5H9NO/c7-1-2(8)5-3(9)4(10)6(11)12-5;1-6-4-2-3-5(6)7/h2,5,7-10H,1H2;2-4H2,1H3/t2-,5+;/m0./s1.
What are the key properties of (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one?
(2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one has a molecular weight of 275.26 g/mol, XLogP of -1.17, 2 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1S)-1,2-dihydroxyethyl]-3,4-dihydroxy-2H-furan-5-one;1-methylpyrrolidin-2-one is sourced from PubChem (CID 158455551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).