methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate

C12H19NO6 — CID 53382559

IUPACmethyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate
SMILESCOCC(=O)N[C@H]1C=C[C@@H](CC(=O)OC)O[C@@H]1CO
InChIInChI=1S/C12H19NO6/c1-17-7-11(15)13-9-4-3-8(5-12(16)18-2)19-10(9)6-14/h3-4,8-10,14H,5-7H2,1-2H3,(H,13,15)/t8-,9-,10+/m0/s1
InChIKeyVAYMLEARZFZQCG-LPEHRKFASA-N
MW273.28 g/mol
LogP-1.00
Rot. Bonds6

About methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate

methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate (PubChem CID 53382559) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate
PubChem CID53382559
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Namemethyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate
SMILESCOCC(=O)N[C@H]1C=C[C@@H](CC(=O)OC)O[C@@H]1CO
InChIInChI=1S/C12H19NO6/c1-17-7-11(15)13-9-4-3-8(5-12(16)18-2)19-10(9)6-14/h3-4,8-10,14H,5-7H2,1-2H3,(H,13,15)/t8-,9-,10+/m0/s1
InChIKeyVAYMLEARZFZQCG-LPEHRKFASA-N
XLogP-1.00
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate with MolForge

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Related Compounds

methyl 2-[(2S,3R,6R)-3-[[2-(dimethylamino)acetyl]amino]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 53382593
2-[(2S,3S,6S)-2-(hydroxymethyl)-3-(1-oxopropylamino)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
CID 53382601
methyl 2-[(2S,3R,6S)-3-(cyclopropanecarbonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 53382603
2-[(2S,3S,6R)-2-(hydroxymethyl)-3-(1-oxopropylamino)-3,6-dihydro-2H-pyran-6-yl]acetic acid methyl ester
CID 54639363
methyl 2-[(2S,3R,6R)-3-(cyclobutanecarbonylamino)-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 53382549
methyl 2-[(2S,3S,6S)-2-(hydroxymethyl)-3-(oxane-4-carbonylamino)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 53382588
methyl 2-[(2S,3S,6S)-2-(hydroxymethyl)-3-(propylcarbamoylamino)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 53382600
methyl 2-[(2S,3R,6R)-3-acetamido-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-6-yl]acetate
CID 53382616
N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
CID 54639068
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
CID 54639069
N-[(2S,3R,6S)-2-(hydroxymethyl)-6-(2-oxo-2-piperidin-1-ylethyl)-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
CID 54639070
N-[(2R,3S,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1-piperidinyl)ethyl]-3,6-dihydro-2H-pyran-3-yl]-2-methoxyacetamide
CID 54639071

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate?
The IUPAC name of methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate (CID 53382559) is methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate.
What is the SMILES notation for methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate?
The canonical SMILES for methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate is COCC(=O)N[C@H]1C=C[C@@H](CC(=O)OC)O[C@@H]1CO.
What is the InChIKey of methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate?
The InChIKey is VAYMLEARZFZQCG-LPEHRKFASA-N. The full InChI is InChI=1S/C12H19NO6/c1-17-7-11(15)13-9-4-3-8(5-12(16)18-2)19-10(9)6-14/h3-4,8-10,14H,5-7H2,1-2H3,(H,13,15)/t8-,9-,10+/m0/s1.
What are the key properties of methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate?
methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate has a molecular weight of 273.28 g/mol, XLogP of -1.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,3S,6R)-2-(hydroxymethyl)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]acetate is sourced from PubChem (CID 53382559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).