(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide

C8H15NO5 — CID 44538125

IUPAC(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO5/c1-9(2)8(13)7-6(12)5(11)4(3-10)14-7/h4-7,10-12H,3H2,1-2H3/t4-,5-,6+,7-/m1/s1
InChIKeyRHJSASOIZSZNMC-MVIOUDGNSA-N
MW205.21 g/mol
LogP-2.44
Rot. Bonds2

About (2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide

(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide (PubChem CID 44538125) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is (2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide
PubChem CID44538125
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C8H15NO5/c1-9(2)8(13)7-6(12)5(11)4(3-10)14-7/h4-7,10-12H,3H2,1-2H3/t4-,5-,6+,7-/m1/s1
InChIKeyRHJSASOIZSZNMC-MVIOUDGNSA-N
XLogP-2.44
TPSA90.23 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-2.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S,4S,5R)-N-ethyl-3,4-dihydroxy-5-(hydroxymethyl)-N-methyloxolane-2-carboxamide
CID 44538638
(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
CID 54053489
(3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylic acid
CID 175420353
4,5-dihydroxy-6-(hydroxymethyl)-3-methyloxane-2-carboxylic acid
CID 78039136
sodium (3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate
CID 175921986
(2S,3S,4R,5S)-4-hydroxy-5-(hydroxymethyl)-3-methyloxolane-2-carboxylic acid
CID 129100441
ethyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-carboxylate
CID 59036373
(2S,3R,4R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 173365188
(2S,3R,4S,5R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 69447261
(2R,3R)-2,5-bis(hydroxymethyl)oxolane-3,4-diol
CID 130395874
(2S,3S,4S,5R)-N-butyl-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxamide
CID 44538844
2,6-bis(hydroxymethyl)oxane-3,4,5-triol
CID 4670797

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide?
The IUPAC name of (2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide (CID 44538125) is (2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide.
What is the SMILES notation for (2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide?
The canonical SMILES for (2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide is CN(C)C(=O)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide?
The InChIKey is RHJSASOIZSZNMC-MVIOUDGNSA-N. The full InChI is InChI=1S/C8H15NO5/c1-9(2)8(13)7-6(12)5(11)4(3-10)14-7/h4-7,10-12H,3H2,1-2H3/t4-,5-,6+,7-/m1/s1.
What are the key properties of (2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide?
(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide has a molecular weight of 205.21 g/mol, XLogP of -2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-N,N-dimethyloxolane-2-carboxamide is sourced from PubChem (CID 44538125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).