N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide

C11H19NO3 — CID 99777294

IUPACN-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC[C@](C)(CO)NC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO3/c1-3-11(2,8-13)12-10(14)9-6-4-5-7-15-9/h6,13H,3-5,7-8H2,1-2H3,(H,12,14)/t11-/m1/s1
InChIKeySQOZVIOIVIEZKT-LLVKDONJSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds4

About N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide

N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide (PubChem CID 99777294) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
PubChem CID99777294
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
SMILESCC[C@](C)(CO)NC(=O)C1=CCCCO1
InChIInChI=1S/C11H19NO3/c1-3-11(2,8-13)12-10(14)9-6-4-5-7-15-9/h6,13H,3-5,7-8H2,1-2H3,(H,12,14)/t11-/m1/s1
InChIKeySQOZVIOIVIEZKT-LLVKDONJSA-N
XLogP0.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 99777293
N-tert-butyl-3,4-dihydro-2H-pyran-6-carboxamide
CID 126988845
5-Methoxy-2,2-dimethyl-1,3-dihydropyridin-6-one
CID 11615203
N-(1-hydroxy-2-methylbutan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 86814959
5-methoxy-N-(2-methylbutan-2-yl)-4-oxopyran-2-carboxamide
CID 100694503
N-(2-cyclopropyl-1-hydroxypropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 109870624
N-[1-(hydroxymethyl)cyclopentyl]-3,4-dihydro-2H-pyran-6-carboxamide
CID 110008837
N-(4-hydroxy-2-methylbutyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 112362409
N-(1-hydroxy-2-methylpropan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130643212
N-(2-methylbutan-2-yl)-2,3-dihydrofuran-5-carboxamide
CID 130684532

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide?
The IUPAC name of N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide (CID 99777294) is N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide.
What is the SMILES notation for N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide?
The canonical SMILES for N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide is CC[C@](C)(CO)NC(=O)C1=CCCCO1.
What is the InChIKey of N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide?
The InChIKey is SQOZVIOIVIEZKT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19NO3/c1-3-11(2,8-13)12-10(14)9-6-4-5-7-15-9/h6,13H,3-5,7-8H2,1-2H3,(H,12,14)/t11-/m1/s1.
What are the key properties of N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide?
N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide has a molecular weight of 213.28 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-3,4-dihydro-2H-pyran-6-carboxamide is sourced from PubChem (CID 99777294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).