(1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol

C7H13NO — CID 98069750

IUPAC(1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol
SMILESN[C@@H]1C[C@H]2CC[C@H]1[C@H]2O
InChIInChI=1S/C7H13NO/c8-6-3-4-1-2-5(6)7(4)9/h4-7,9H,1-3,8H2/t4-,5-,6-,7+/m1/s1
InChIKeyHGAOPEUSALYBOV-GBNDHIKLSA-N
MW127.19 g/mol
LogP0.10
Rot. Bonds

About (1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol

(1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol (PubChem CID 98069750) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol.

Molecular Properties

Compound Name(1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol
PubChem CID98069750
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol
SMILESN[C@@H]1C[C@H]2CC[C@H]1[C@H]2O
InChIInChI=1S/C7H13NO/c8-6-3-4-1-2-5(6)7(4)9/h4-7,9H,1-3,8H2/t4-,5-,6-,7+/m1/s1
InChIKeyHGAOPEUSALYBOV-GBNDHIKLSA-N
XLogP0.10
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol?
The IUPAC name of (1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol (CID 98069750) is (1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol.
What is the SMILES notation for (1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol?
The canonical SMILES for (1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol is N[C@@H]1C[C@H]2CC[C@H]1[C@H]2O.
What is the InChIKey of (1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol?
The InChIKey is HGAOPEUSALYBOV-GBNDHIKLSA-N. The full InChI is InChI=1S/C7H13NO/c8-6-3-4-1-2-5(6)7(4)9/h4-7,9H,1-3,8H2/t4-,5-,6-,7+/m1/s1.
What are the key properties of (1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol?
(1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol has a molecular weight of 127.19 g/mol, XLogP of 0.10, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4R,7S)-2-aminobicyclo[2.2.1]heptan-7-ol is sourced from PubChem (CID 98069750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).