[1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid

C12H22N2O2 — CID 68744261

IUPAC[1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(CC1CC2CCC(C1)N2)NC(=O)O
InChIInChI=1S/C12H22N2O2/c1-12(2,14-11(15)16)7-8-5-9-3-4-10(6-8)13-9/h8-10,13-14H,3-7H2,1-2H3,(H,15,16)
InChIKeyLNPZKXYMJQRILR-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.95
Rot. Bonds3

About [1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid

[1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid (PubChem CID 68744261) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid
PubChem CID68744261
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid
SMILESCC(C)(CC1CC2CCC(C1)N2)NC(=O)O
InChIInChI=1S/C12H22N2O2/c1-12(2,14-11(15)16)7-8-5-9-3-4-10(6-8)13-9/h8-10,13-14H,3-7H2,1-2H3,(H,15,16)
InChIKeyLNPZKXYMJQRILR-UHFFFAOYSA-N
XLogP1.95
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid?
The IUPAC name of [1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid (CID 68744261) is [1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid.
What is the SMILES notation for [1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid?
The canonical SMILES for [1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid is CC(C)(CC1CC2CCC(C1)N2)NC(=O)O.
What is the InChIKey of [1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid?
The InChIKey is LNPZKXYMJQRILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,14-11(15)16)7-8-5-9-3-4-10(6-8)13-9/h8-10,13-14H,3-7H2,1-2H3,(H,15,16).
What are the key properties of [1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid?
[1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid has a molecular weight of 226.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(8-azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid is sourced from PubChem (CID 68744261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).