(3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide

C11H21NO3 — CID 169194096

IUPAC(3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCOC1)C(C)(C)CO
InChIInChI=1S/C11H21NO3/c1-8(11(2,3)7-13)12-10(14)9-4-5-15-6-9/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9+/m1/s1
InChIKeyWVVFROWOISJTHA-BDAKNGLRSA-N
MW215.29 g/mol
LogP0.55
Rot. Bonds4

About (3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide

(3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide (PubChem CID 169194096) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is (3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide
PubChem CID169194096
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name(3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide
SMILESC[C@@H](NC(=O)[C@H]1CCOC1)C(C)(C)CO
InChIInChI=1S/C11H21NO3/c1-8(11(2,3)7-13)12-10(14)9-4-5-15-6-9/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9+/m1/s1
InChIKeyWVVFROWOISJTHA-BDAKNGLRSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide (CID 169194096) is (3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide is C[C@@H](NC(=O)[C@H]1CCOC1)C(C)(C)CO.
What is the InChIKey of (3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide?
The InChIKey is WVVFROWOISJTHA-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(11(2,3)7-13)12-10(14)9-4-5-15-6-9/h8-9,13H,4-7H2,1-3H3,(H,12,14)/t8-,9+/m1/s1.
What are the key properties of (3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide?
(3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide has a molecular weight of 215.29 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-4-hydroxy-3,3-dimethylbutan-2-yl]oxolane-3-carboxamide is sourced from PubChem (CID 169194096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).