2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone

C8H14N2O — CID 131859028

IUPAC2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone
SMILESNCC(=O)[C@H]1CN2CC[C@@H]1C2
InChIInChI=1S/C8H14N2O/c9-3-8(11)7-5-10-2-1-6(7)4-10/h6-7H,1-5,9H2/t6-,7+/m1/s1
InChIKeyVNXCGCNYZYXHBQ-RQJHMYQMSA-N
MW154.21 g/mol
LogP-0.53
Rot. Bonds2

About 2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone

2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone (PubChem CID 131859028) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone
PubChem CID131859028
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone
SMILESNCC(=O)[C@H]1CN2CC[C@@H]1C2
InChIInChI=1S/C8H14N2O/c9-3-8(11)7-5-10-2-1-6(7)4-10/h6-7H,1-5,9H2/t6-,7+/m1/s1
InChIKeyVNXCGCNYZYXHBQ-RQJHMYQMSA-N
XLogP-0.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone?
The IUPAC name of 2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone (CID 131859028) is 2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone.
What is the SMILES notation for 2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone?
The canonical SMILES for 2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone is NCC(=O)[C@H]1CN2CC[C@@H]1C2.
What is the InChIKey of 2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone?
The InChIKey is VNXCGCNYZYXHBQ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H14N2O/c9-3-8(11)7-5-10-2-1-6(7)4-10/h6-7H,1-5,9H2/t6-,7+/m1/s1.
What are the key properties of 2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone?
2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone has a molecular weight of 154.21 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(3R,4S)-1-azabicyclo[2.2.1]heptan-3-yl]ethanone is sourced from PubChem (CID 131859028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).