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

C10H19N3O2 — CID 54080814

IUPACtert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN=C1N
InChIInChI=1S/C10H19N3O2/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)/t7-/m0/s1
InChIKeyMMZGHJBXRZFANE-ZETCQYMHSA-N
MW213.28 g/mol
LogP1.03
Rot. Bonds1

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

tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate (PubChem CID 54080814) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate
PubChem CID54080814
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nametert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCCN=C1N
InChIInChI=1S/C10H19N3O2/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)/t7-/m0/s1
InChIKeyMMZGHJBXRZFANE-ZETCQYMHSA-N
XLogP1.03
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Tert-butyl n-(1-carbamimidoyl-2,2-dimethylpropyl)carbamate
CID 61429987
t-Butyl (1-amino-1-iminobutan-2-yl)-carbamate
CID 61428163
tert-Butyl N-(1-carbamimidoylethyl)carbamate
CID 61428355
tert-butyl N-[(2S)-1-amino-1-imino-3-methylbutan-2-yl]carbamate
CID 21076936
tert-butyl N-[2-(1-aminoethylideneamino)ethyl]carbamate
CID 45091956
tert-butyl N-(1-amino-1-imino-3-methylbutan-2-yl)carbamate
CID 45092215
tert-butyl N-[6-(1-aminoethylideneamino)hexyl]carbamate
CID 54075653
Carbamic acid, [1-[(hydroxyamino)iminomethyl]propyl]-, 1,1-dimethylethyl ester
CID 54857220
tert-butyl N-[(2S)-1-amino-1-iminopropan-2-yl]carbamate
CID 58417076
tert-butyl N-(4-carbamimidoylbutyl)carbamate
CID 61430622
tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate;hydrochloride
CID 67762030
tert-butyl N-(7-amino-3,4,5,6-tetrahydro-2H-azepin-6-yl)carbamate
CID 67762253

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate?
The IUPAC name of tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate (CID 54080814) is tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate?
The canonical SMILES for tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCCN=C1N.
What is the InChIKey of tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate?
The InChIKey is MMZGHJBXRZFANE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H19N3O2/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)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate?
tert-butyl N-[(5S)-6-amino-2,3,4,5-tetrahydropyridin-5-yl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.03, 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 is sourced from PubChem (CID 54080814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).