(1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride

C7H14ClN3O — CID 66786242

IUPAC(1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride
SMILESCl.NC(=O)N1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C7H13N3O.ClH/c8-7(11)10-3-5-1-2-6(4-10)9-5;/h5-6,9H,1-4H2,(H2,8,11);1H/t5-,6+;
InChIKeyBDQYOEWQVMPAKI-KNCHESJLSA-N
MW191.66 g/mol
LogP-0.08
Rot. Bonds

About (1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride

(1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride (PubChem CID 66786242) has the molecular formula C7H14ClN3O and a molecular weight of 191.66 g/mol. Its IUPAC name is (1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride
PubChem CID66786242
Molecular FormulaC7H14ClN3O
Molecular Weight191.66 g/mol
Exact Mass191.08
IUPAC Name(1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride
SMILESCl.NC(=O)N1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C7H13N3O.ClH/c8-7(11)10-3-5-1-2-6(4-10)9-5;/h5-6,9H,1-4H2,(H2,8,11);1H/t5-,6+;
InChIKeyBDQYOEWQVMPAKI-KNCHESJLSA-N
XLogP-0.08
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.66
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride?
The IUPAC name of (1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride (CID 66786242) is (1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride.
What is the SMILES notation for (1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride?
The canonical SMILES for (1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride is Cl.NC(=O)N1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride?
The InChIKey is BDQYOEWQVMPAKI-KNCHESJLSA-N. The full InChI is InChI=1S/C7H13N3O.ClH/c8-7(11)10-3-5-1-2-6(4-10)9-5;/h5-6,9H,1-4H2,(H2,8,11);1H/t5-,6+;.
What are the key properties of (1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride?
(1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride has a molecular weight of 191.66 g/mol, XLogP of -0.08, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3,8-diazabicyclo[3.2.1]octane-3-carboxamide;hydrochloride is sourced from PubChem (CID 66786242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).