(1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one

C7H12N2O — CID 129413414

IUPAC(1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one
SMILESN[C@H]1CC[C@H]2C[C@@H]1C(=O)N2
InChIInChI=1S/C7H12N2O/c8-6-2-1-4-3-5(6)7(10)9-4/h4-6H,1-3,8H2,(H,9,10)/t4-,5-,6-/m0/s1
InChIKeyHHAFXSZRXQIBQT-ZLUOBGJFSA-N
MW140.19 g/mol
LogP-0.39
Rot. Bonds

About (1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one

(1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one (PubChem CID 129413414) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one.

Molecular Properties

Compound Name(1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one
PubChem CID129413414
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one
SMILESN[C@H]1CC[C@H]2C[C@@H]1C(=O)N2
InChIInChI=1S/C7H12N2O/c8-6-2-1-4-3-5(6)7(10)9-4/h4-6H,1-3,8H2,(H,9,10)/t4-,5-,6-/m0/s1
InChIKeyHHAFXSZRXQIBQT-ZLUOBGJFSA-N
XLogP-0.39
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one?
The IUPAC name of (1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one (CID 129413414) is (1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one.
What is the SMILES notation for (1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one?
The canonical SMILES for (1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one is N[C@H]1CC[C@H]2C[C@@H]1C(=O)N2.
What is the InChIKey of (1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one?
The InChIKey is HHAFXSZRXQIBQT-ZLUOBGJFSA-N. The full InChI is InChI=1S/C7H12N2O/c8-6-2-1-4-3-5(6)7(10)9-4/h4-6H,1-3,8H2,(H,9,10)/t4-,5-,6-/m0/s1.
What are the key properties of (1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one?
(1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one has a molecular weight of 140.19 g/mol, XLogP of -0.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,5S)-2-amino-6-azabicyclo[3.2.1]octan-7-one is sourced from PubChem (CID 129413414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).