methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate

C10H15NO4 — CID 11241332

IUPACmethyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CCC[C@H]1COC(C)=O
InChIInChI=1S/C10H15NO4/c1-8(12)15-7-9-5-3-4-6-11(9)10(13)14-2/h4,6,9H,3,5,7H2,1-2H3/t9-/m0/s1
InChIKeyWIETXGSOQQYKGK-VIFPVBQESA-N
MW213.23 g/mol
LogP1.29
Rot. Bonds2

About methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate

methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate (PubChem CID 11241332) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
PubChem CID11241332
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namemethyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate
SMILESCOC(=O)N1C=CCC[C@H]1COC(C)=O
InChIInChI=1S/C10H15NO4/c1-8(12)15-7-9-5-3-4-6-11(9)10(13)14-2/h4,6,9H,3,5,7H2,1-2H3/t9-/m0/s1
InChIKeyWIETXGSOQQYKGK-VIFPVBQESA-N
XLogP1.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate (CID 11241332) is methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate is COC(=O)N1C=CCC[C@H]1COC(C)=O.
What is the InChIKey of methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is WIETXGSOQQYKGK-VIFPVBQESA-N. The full InChI is InChI=1S/C10H15NO4/c1-8(12)15-7-9-5-3-4-6-11(9)10(13)14-2/h4,6,9H,3,5,7H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate?
methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-(acetyloxymethyl)-3,4-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 11241332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).