tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride

C10H20ClN3O2 — CID 67762030

IUPACtert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN=C1N.Cl
InChIInChI=1S/C10H19N3O2.ClH/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(7)11;/h7H,4-6H2,1-3H3,(H2,11,12)(H,13,14);1H/t7-;/m0./s1
InChIKeyZVODVVYTSXSUIL-FJXQXJEOSA-N
MW249.74 g/mol
LogP1.45
Rot. Bonds1

About tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride

tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride (PubChem CID 67762030) has the molecular formula C10H20ClN3O2 and a molecular weight of 249.74 g/mol. Its IUPAC name is tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride
PubChem CID67762030
Molecular FormulaC10H20ClN3O2
Molecular Weight249.74 g/mol
Exact Mass249.12
IUPAC Nametert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN=C1N.Cl
InChIInChI=1S/C10H19N3O2.ClH/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(7)11;/h7H,4-6H2,1-3H3,(H2,11,12)(H,13,14);1H/t7-;/m0./s1
InChIKeyZVODVVYTSXSUIL-FJXQXJEOSA-N
XLogP1.45
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.74
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride (CID 67762030) is tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride is CC(C)(C)OC(=O)N[C@H]1CCCN=C1N.Cl.
What is the InChIKey of tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride?
The InChIKey is ZVODVVYTSXSUIL-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H19N3O2.ClH/c1-10(2,3)15-9(14)13-7-5-4-6-12-8(7)11;/h7H,4-6H2,1-3H3,(H2,11,12)(H,13,14);1H/t7-;/m0./s1.
What are the key properties of tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride?
tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride has a molecular weight of 249.74 g/mol, XLogP of 1.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride is sourced from PubChem (CID 67762030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).