methyl 2-amino-2,3-dihydropyridine-5-carboxylate

C7H10N2O2 — CID 90963851

IUPACmethyl 2-amino-2,3-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=CCC(N)N=C1
InChIInChI=1S/C7H10N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h2,4,6H,3,8H2,1H3
InChIKeyYMCRURJEODCDCZ-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.15
Rot. Bonds1

About methyl 2-amino-2,3-dihydropyridine-5-carboxylate

methyl 2-amino-2,3-dihydropyridine-5-carboxylate (PubChem CID 90963851) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is methyl 2-amino-2,3-dihydropyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-2,3-dihydropyridine-5-carboxylate
PubChem CID90963851
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Namemethyl 2-amino-2,3-dihydropyridine-5-carboxylate
SMILESCOC(=O)C1=CCC(N)N=C1
InChIInChI=1S/C7H10N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h2,4,6H,3,8H2,1H3
InChIKeyYMCRURJEODCDCZ-UHFFFAOYSA-N
XLogP-0.15
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2,3-dihydropyridine-5-carboxylate?
The IUPAC name of methyl 2-amino-2,3-dihydropyridine-5-carboxylate (CID 90963851) is methyl 2-amino-2,3-dihydropyridine-5-carboxylate.
What is the SMILES notation for methyl 2-amino-2,3-dihydropyridine-5-carboxylate?
The canonical SMILES for methyl 2-amino-2,3-dihydropyridine-5-carboxylate is COC(=O)C1=CCC(N)N=C1.
What is the InChIKey of methyl 2-amino-2,3-dihydropyridine-5-carboxylate?
The InChIKey is YMCRURJEODCDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-11-7(10)5-2-3-6(8)9-4-5/h2,4,6H,3,8H2,1H3.
What are the key properties of methyl 2-amino-2,3-dihydropyridine-5-carboxylate?
methyl 2-amino-2,3-dihydropyridine-5-carboxylate has a molecular weight of 154.17 g/mol, XLogP of -0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2,3-dihydropyridine-5-carboxylate is sourced from PubChem (CID 90963851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).