N-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

C11H19NO3 — CID 99776448

IUPACN-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)N[C@H](C)CCO)CCCO1
InChIInChI=1S/C11H19NO3/c1-8(5-6-13)12-11(14)10-4-3-7-15-9(10)2/h8,13H,3-7H2,1-2H3,(H,12,14)/t8-/m1/s1
InChIKeyJWJQFBSIKHLKFR-MRVPVSSYSA-N
MW213.28 g/mol
LogP0.96
Rot. Bonds4

About N-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide

N-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 99776448) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is N-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID99776448
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC NameN-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCC1=C(C(=O)N[C@H](C)CCO)CCCO1
InChIInChI=1S/C11H19NO3/c1-8(5-6-13)12-11(14)10-4-3-7-15-9(10)2/h8,13H,3-7H2,1-2H3,(H,12,14)/t8-/m1/s1
InChIKeyJWJQFBSIKHLKFR-MRVPVSSYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 99776448) is N-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is CC1=C(C(=O)N[C@H](C)CCO)CCCO1.
What is the InChIKey of N-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is JWJQFBSIKHLKFR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(5-6-13)12-11(14)10-4-3-7-15-9(10)2/h8,13H,3-7H2,1-2H3,(H,12,14)/t8-/m1/s1.
What are the key properties of N-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-[(2R)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-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)-4-hydroxybutan-2-yl]-6-methyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 99776448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).