(2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

C10H18N2O — CID 130949881

IUPAC(2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1C2CCCC1CC2
InChIInChI=1S/C10H18N2O/c1-7(11)10(13)12-8-3-2-4-9(12)6-5-8/h7-9H,2-6,11H2,1H3/t7-,8?,9?/m1/s1
InChIKeyZRLKWEHSMKWKCB-AFPNSQJFSA-N
MW182.27 g/mol
LogP0.88
Rot. Bonds1

About (2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one

(2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (PubChem CID 130949881) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is (2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
PubChem CID130949881
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name(2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1C2CCCC1CC2
InChIInChI=1S/C10H18N2O/c1-7(11)10(13)12-8-3-2-4-9(12)6-5-8/h7-9H,2-6,11H2,1H3/t7-,8?,9?/m1/s1
InChIKeyZRLKWEHSMKWKCB-AFPNSQJFSA-N
XLogP0.88
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one (CID 130949881) is (2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is C[C@@H](N)C(=O)N1C2CCCC1CC2.
What is the InChIKey of (2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
The InChIKey is ZRLKWEHSMKWKCB-AFPNSQJFSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(11)10(13)12-8-3-2-4-9(12)6-5-8/h7-9H,2-6,11H2,1H3/t7-,8?,9?/m1/s1.
What are the key properties of (2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one?
(2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one has a molecular weight of 182.27 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one is sourced from PubChem (CID 130949881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).