8-azabicyclo[3.2.1]octan-3-ylcarbamic acid

C8H14N2O2 — CID 21104670

IUPAC8-azabicyclo[3.2.1]octan-3-ylcarbamic acid
SMILESO=C(O)NC1CC2CCC(C1)N2
InChIInChI=1S/C8H14N2O2/c11-8(12)10-7-3-5-1-2-6(4-7)9-5/h5-7,9-10H,1-4H2,(H,11,12)
InChIKeyMKFBRKPCBZXCIX-UHFFFAOYSA-N
MW170.21 g/mol
LogP0.54
Rot. Bonds1

About 8-azabicyclo[3.2.1]octan-3-ylcarbamic acid

8-azabicyclo[3.2.1]octan-3-ylcarbamic acid (PubChem CID 21104670) has the molecular formula C8H14N2O2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 8-azabicyclo[3.2.1]octan-3-ylcarbamic acid.

Molecular Properties

Compound Name8-azabicyclo[3.2.1]octan-3-ylcarbamic acid
PubChem CID21104670
Molecular FormulaC8H14N2O2
Molecular Weight170.21 g/mol
Exact Mass170.11
IUPAC Name8-azabicyclo[3.2.1]octan-3-ylcarbamic acid
SMILESO=C(O)NC1CC2CCC(C1)N2
InChIInChI=1S/C8H14N2O2/c11-8(12)10-7-3-5-1-2-6(4-7)9-5/h5-7,9-10H,1-4H2,(H,11,12)
InChIKeyMKFBRKPCBZXCIX-UHFFFAOYSA-N
XLogP0.54
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylcarbamic acid?
The IUPAC name of 8-azabicyclo[3.2.1]octan-3-ylcarbamic acid (CID 21104670) is 8-azabicyclo[3.2.1]octan-3-ylcarbamic acid.
What is the SMILES notation for 8-azabicyclo[3.2.1]octan-3-ylcarbamic acid?
The canonical SMILES for 8-azabicyclo[3.2.1]octan-3-ylcarbamic acid is O=C(O)NC1CC2CCC(C1)N2.
What is the InChIKey of 8-azabicyclo[3.2.1]octan-3-ylcarbamic acid?
The InChIKey is MKFBRKPCBZXCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O2/c11-8(12)10-7-3-5-1-2-6(4-7)9-5/h5-7,9-10H,1-4H2,(H,11,12).
What are the key properties of 8-azabicyclo[3.2.1]octan-3-ylcarbamic acid?
8-azabicyclo[3.2.1]octan-3-ylcarbamic acid has a molecular weight of 170.21 g/mol, XLogP of 0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-azabicyclo[3.2.1]octan-3-ylcarbamic acid is sourced from PubChem (CID 21104670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).