(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide

C8H15NO3 — CID 59909587

IUPAC(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide
SMILESCNC(=O)[C@H]1OC(O)[C@H](C)[C@@H]1C
InChIInChI=1S/C8H15NO3/c1-4-5(2)8(11)12-6(4)7(10)9-3/h4-6,8,11H,1-3H3,(H,9,10)/t4-,5+,6-,8?/m0/s1
InChIKeyWAPXWVMVGURBOY-QFZFJQMPSA-N
MW173.21 g/mol
LogP-0.28
Rot. Bonds1

About (2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide

(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide (PubChem CID 59909587) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide
PubChem CID59909587
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide
SMILESCNC(=O)[C@H]1OC(O)[C@H](C)[C@@H]1C
InChIInChI=1S/C8H15NO3/c1-4-5(2)8(11)12-6(4)7(10)9-3/h4-6,8,11H,1-3H3,(H,9,10)/t4-,5+,6-,8?/m0/s1
InChIKeyWAPXWVMVGURBOY-QFZFJQMPSA-N
XLogP-0.28
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide?
The IUPAC name of (2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide (CID 59909587) is (2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide.
What is the SMILES notation for (2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide?
The canonical SMILES for (2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide is CNC(=O)[C@H]1OC(O)[C@H](C)[C@@H]1C.
What is the InChIKey of (2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide?
The InChIKey is WAPXWVMVGURBOY-QFZFJQMPSA-N. The full InChI is InChI=1S/C8H15NO3/c1-4-5(2)8(11)12-6(4)7(10)9-3/h4-6,8,11H,1-3H3,(H,9,10)/t4-,5+,6-,8?/m0/s1.
What are the key properties of (2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide?
(2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide has a molecular weight of 173.21 g/mol, XLogP of -0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R)-5-hydroxy-N,3,4-trimethyloxolane-2-carboxamide is sourced from PubChem (CID 59909587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).