(2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

C8H13NO5 — CID 54707346

IUPAC(2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESCN(C)C[C@@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C8H13NO5/c1-9(2)3-4(10)7-5(11)6(12)8(13)14-7/h4,7,10-12H,3H2,1-2H3/t4-,7-/m1/s1
InChIKeyHRTHQFHDMRLUSB-CLZZGJSISA-N
MW203.19 g/mol
LogP-0.84
Rot. Bonds3

About (2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one

(2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (PubChem CID 54707346) has the molecular formula C8H13NO5 and a molecular weight of 203.19 g/mol. Its IUPAC name is (2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
PubChem CID54707346
Molecular FormulaC8H13NO5
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name(2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one
SMILESCN(C)C[C@@H](O)[C@H]1OC(=O)C(O)=C1O
InChIInChI=1S/C8H13NO5/c1-9(2)3-4(10)7-5(11)6(12)8(13)14-7/h4,7,10-12H,3H2,1-2H3/t4-,7-/m1/s1
InChIKeyHRTHQFHDMRLUSB-CLZZGJSISA-N
XLogP-0.84
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 54693466
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CID 170843947
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CID 54681543
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CID 137332226
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CID 19736018
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CID 54702824
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CID 54711262

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The IUPAC name of (2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one (CID 54707346) is (2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one.
What is the SMILES notation for (2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The canonical SMILES for (2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is CN(C)C[C@@H](O)[C@H]1OC(=O)C(O)=C1O.
What is the InChIKey of (2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
The InChIKey is HRTHQFHDMRLUSB-CLZZGJSISA-N. The full InChI is InChI=1S/C8H13NO5/c1-9(2)3-4(10)7-5(11)6(12)8(13)14-7/h4,7,10-12H,3H2,1-2H3/t4-,7-/m1/s1.
What are the key properties of (2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one?
(2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one has a molecular weight of 203.19 g/mol, XLogP of -0.84, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R)-2-(dimethylamino)-1-hydroxyethyl]-3,4-dihydroxy-2H-furan-5-one is sourced from PubChem (CID 54707346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).