(3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide

C8H14N2O — CID 167080109

IUPAC(3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide
SMILESCNC(=O)C12CC(C1)[C@H](N)C2
InChIInChI=1S/C8H14N2O/c1-10-7(11)8-2-5(3-8)6(9)4-8/h5-6H,2-4,9H2,1H3,(H,10,11)/t5?,6-,8?/m1/s1
InChIKeyGECJQPRFNBSNOM-NAJVVJGSSA-N
MW154.21 g/mol
LogP-0.14
Rot. Bonds1

About (3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide

(3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide (PubChem CID 167080109) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide
PubChem CID167080109
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide
SMILESCNC(=O)C12CC(C1)[C@H](N)C2
InChIInChI=1S/C8H14N2O/c1-10-7(11)8-2-5(3-8)6(9)4-8/h5-6H,2-4,9H2,1H3,(H,10,11)/t5?,6-,8?/m1/s1
InChIKeyGECJQPRFNBSNOM-NAJVVJGSSA-N
XLogP-0.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide?
The IUPAC name of (3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide (CID 167080109) is (3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide.
What is the SMILES notation for (3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide?
The canonical SMILES for (3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide is CNC(=O)C12CC(C1)[C@H](N)C2.
What is the InChIKey of (3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide?
The InChIKey is GECJQPRFNBSNOM-NAJVVJGSSA-N. The full InChI is InChI=1S/C8H14N2O/c1-10-7(11)8-2-5(3-8)6(9)4-8/h5-6H,2-4,9H2,1H3,(H,10,11)/t5?,6-,8?/m1/s1.
What are the key properties of (3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide?
(3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide has a molecular weight of 154.21 g/mol, XLogP of -0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-methylbicyclo[2.1.1]hexane-1-carboxamide is sourced from PubChem (CID 167080109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).