dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate

C10H15NO5 — CID 13048043

IUPACdimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate
SMILESCOC(=O)C1=CN(C)C(O)CC1C(=O)OC
InChIInChI=1S/C10H15NO5/c1-11-5-7(10(14)16-3)6(4-8(11)12)9(13)15-2/h5-6,8,12H,4H2,1-3H3
InChIKeyAOIGFKIOTCARGB-UHFFFAOYSA-N
MW229.23 g/mol
LogP-0.51
Rot. Bonds2

About dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate

dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate (PubChem CID 13048043) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate
PubChem CID13048043
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Namedimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate
SMILESCOC(=O)C1=CN(C)C(O)CC1C(=O)OC
InChIInChI=1S/C10H15NO5/c1-11-5-7(10(14)16-3)6(4-8(11)12)9(13)15-2/h5-6,8,12H,4H2,1-3H3
InChIKeyAOIGFKIOTCARGB-UHFFFAOYSA-N
XLogP-0.51
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2S,3S)-2,3-dihydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
CID 10607616
methyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
CID 101924992
ethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-5-carboxylate
CID 101924993

Frequently Asked Questions

What is the IUPAC name of dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate?
The IUPAC name of dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate (CID 13048043) is dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate.
What is the SMILES notation for dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate?
The canonical SMILES for dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate is COC(=O)C1=CN(C)C(O)CC1C(=O)OC.
What is the InChIKey of dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate?
The InChIKey is AOIGFKIOTCARGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-11-5-7(10(14)16-3)6(4-8(11)12)9(13)15-2/h5-6,8,12H,4H2,1-3H3.
What are the key properties of dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate?
dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate has a molecular weight of 229.23 g/mol, XLogP of -0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2-hydroxy-1-methyl-3,4-dihydro-2H-pyridine-4,5-dicarboxylate is sourced from PubChem (CID 13048043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).