(2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide

C9H17NO3 — CID 39237945

IUPAC(2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(CO)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C9H17NO3/c1-9(2,6-11)10-8(12)7-4-3-5-13-7/h7,11H,3-6H2,1-2H3,(H,10,12)/t7-/m1/s1
InChIKeyNQVTYVIATSNSJQ-SSDOTTSWSA-N
MW187.24 g/mol
LogP0.05
Rot. Bonds3

About (2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide

(2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide (PubChem CID 39237945) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
PubChem CID39237945
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide
SMILESCC(C)(CO)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C9H17NO3/c1-9(2,6-11)10-8(12)7-4-3-5-13-7/h7,11H,3-6H2,1-2H3,(H,10,12)/t7-/m1/s1
InChIKeyNQVTYVIATSNSJQ-SSDOTTSWSA-N
XLogP0.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide?
The IUPAC name of (2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide (CID 39237945) is (2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide is CC(C)(CO)NC(=O)[C@H]1CCCO1.
What is the InChIKey of (2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide?
The InChIKey is NQVTYVIATSNSJQ-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,6-11)10-8(12)7-4-3-5-13-7/h7,11H,3-6H2,1-2H3,(H,10,12)/t7-/m1/s1.
What are the key properties of (2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide?
(2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide has a molecular weight of 187.24 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-hydroxy-2-methylpropan-2-yl)oxolane-2-carboxamide is sourced from PubChem (CID 39237945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).