methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride

C7H13ClN2O2 — CID 45259453

IUPACmethyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CCC(N)=NC1.Cl
InChIInChI=1S/C7H12N2O2.ClH/c1-11-7(10)5-2-3-6(8)9-4-5;/h5H,2-4H2,1H3,(H2,8,9);1H
InChIKeyPESXKMCPNBSHGM-UHFFFAOYSA-N
MW192.65 g/mol
LogP0.35
Rot. Bonds1

About methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride

methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride (PubChem CID 45259453) has the molecular formula C7H13ClN2O2 and a molecular weight of 192.65 g/mol. Its IUPAC name is methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride
PubChem CID45259453
Molecular FormulaC7H13ClN2O2
Molecular Weight192.65 g/mol
Exact Mass192.07
IUPAC Namemethyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1CCC(N)=NC1.Cl
InChIInChI=1S/C7H12N2O2.ClH/c1-11-7(10)5-2-3-6(8)9-4-5;/h5H,2-4H2,1H3,(H2,8,9);1H
InChIKeyPESXKMCPNBSHGM-UHFFFAOYSA-N
XLogP0.35
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride (CID 45259453) is methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride is COC(=O)C1CCC(N)=NC1.Cl.
What is the InChIKey of methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride?
The InChIKey is PESXKMCPNBSHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O2.ClH/c1-11-7(10)5-2-3-6(8)9-4-5;/h5H,2-4H2,1H3,(H2,8,9);1H.
What are the key properties of methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride?
methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride has a molecular weight of 192.65 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride is sourced from PubChem (CID 45259453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).