methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate

C12H19NO4 — CID 97109029

IUPACmethyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate
SMILESCCC[C@H](NC(=O)C1=CCCCO1)C(=O)OC
InChIInChI=1S/C12H19NO4/c1-3-6-9(12(15)16-2)13-11(14)10-7-4-5-8-17-10/h7,9H,3-6,8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyGGBYSFFREGVGDF-VIFPVBQESA-N
MW241.29 g/mol
LogP1.14
Rot. Bonds5

About methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate

methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate (PubChem CID 97109029) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate
PubChem CID97109029
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate
SMILESCCC[C@H](NC(=O)C1=CCCCO1)C(=O)OC
InChIInChI=1S/C12H19NO4/c1-3-6-9(12(15)16-2)13-11(14)10-7-4-5-8-17-10/h7,9H,3-6,8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyGGBYSFFREGVGDF-VIFPVBQESA-N
XLogP1.14
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate?
The IUPAC name of methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate (CID 97109029) is methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate.
What is the SMILES notation for methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate?
The canonical SMILES for methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate is CCC[C@H](NC(=O)C1=CCCCO1)C(=O)OC.
What is the InChIKey of methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate?
The InChIKey is GGBYSFFREGVGDF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-6-9(12(15)16-2)13-11(14)10-7-4-5-8-17-10/h7,9H,3-6,8H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate?
methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate has a molecular weight of 241.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(3,4-dihydro-2H-pyran-6-carbonylamino)pentanoate is sourced from PubChem (CID 97109029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).