6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide

C11H18N2O3 — CID 99816166

IUPAC6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCNC(=O)[C@H](C)NC(=O)C1=C(C)OCCC1
InChIInChI=1S/C11H18N2O3/c1-7(10(14)12-3)13-11(15)9-5-4-6-16-8(9)2/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)/t7-/m0/s1
InChIKeyGFZLVKZWDRUBBT-ZETCQYMHSA-N
MW226.28 g/mol
LogP0.32
Rot. Bonds3

About 6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide

6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 99816166) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID99816166
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide
SMILESCNC(=O)[C@H](C)NC(=O)C1=C(C)OCCC1
InChIInChI=1S/C11H18N2O3/c1-7(10(14)12-3)13-11(15)9-5-4-6-16-8(9)2/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)/t7-/m0/s1
InChIKeyGFZLVKZWDRUBBT-ZETCQYMHSA-N
XLogP0.32
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of 6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide (CID 99816166) is 6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for 6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for 6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide is CNC(=O)[C@H](C)NC(=O)C1=C(C)OCCC1.
What is the InChIKey of 6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is GFZLVKZWDRUBBT-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7(10(14)12-3)13-11(15)9-5-4-6-16-8(9)2/h7H,4-6H2,1-3H3,(H,12,14)(H,13,15)/t7-/m0/s1.
What are the key properties of 6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide?
6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 99816166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).