tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate

C10H19N2O3+ — CID 123354252

IUPACtert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COC[CH+][C@H]1N
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-8-6-14-5-4-7(8)11/h4,7-8H,5-6,11H2,1-3H3/p+1/t7-,8+/m1/s1
InChIKeyUUUAEHBGOTVENO-SFYZADRCSA-O
MW215.27 g/mol
LogP0.44
Rot. Bonds1

About tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate

tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate (PubChem CID 123354252) has the molecular formula C10H19N2O3+ and a molecular weight of 215.27 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate
PubChem CID123354252
Molecular FormulaC10H19N2O3+
Molecular Weight215.27 g/mol
Exact Mass215.14
IUPAC Nametert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1COC[CH+][C@H]1N
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-8-6-14-5-4-7(8)11/h4,7-8H,5-6,11H2,1-3H3/p+1/t7-,8+/m1/s1
InChIKeyUUUAEHBGOTVENO-SFYZADRCSA-O
XLogP0.44
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(4S)-4-aminooxolan-3-yl]carbamate
CID 146408189
tert-butyl N-[(1S,2R)-2-aminocyclopropyl]carbamate
CID 84766300
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-[(3S,4R)-4-formyloxan-3-yl]carbamate
CID 59094980
tert-butyl N-[(1R,2R,3S,4S)-2,3,4-trihydroxycyclopentyl]carbamate
CID 110144322
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(2S,3S)-2-(hydroxymethyl)oxetan-3-yl]carbamate
CID 24774076
tert-butyl N-[(1S,4R)-4-amino-2-methoxycyclopentyl]carbamate
CID 143194113
tert-butyl N-[(1S,2S)-2-aminocyclopentyl]carbamate
CID 17040218
tert-butyl N-[(1R,2R,3S)-2-amino-3-hydroxycyclohexyl]carbamate
CID 70952812
tert-butyl N-[(3R,4S)-4-cyanooxan-3-yl]carbamate
CID 171441505
tert-butyl N-[(3S,4S)-4-[amino(phenyl)methyl]oxolan-3-yl]carbamate
CID 138014700

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate (CID 123354252) is tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1COC[CH+][C@H]1N.
What is the InChIKey of tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate?
The InChIKey is UUUAEHBGOTVENO-SFYZADRCSA-O. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)15-9(13)12-8-6-14-5-4-7(8)11/h4,7-8H,5-6,11H2,1-3H3/p+1/t7-,8+/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate?
tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate has a molecular weight of 215.27 g/mol, XLogP of 0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-4-amino-3,4,5,6-tetrahydro-2H-pyran-5-ylium-3-yl]carbamate is sourced from PubChem (CID 123354252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).