(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol

C11H21NO — CID 124526679

IUPAC(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
SMILESCC[C@H](CO)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C11H21NO/c1-2-10(7-13)12-11-6-8-3-4-9(11)5-8/h8-13H,2-7H2,1H3/t8-,9-,10+,11-/m0/s1
InChIKeyFYFJUBHVTOMMRD-MMWGEVLESA-N
MW183.29 g/mol
LogP1.54
Rot. Bonds4

About (2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol

(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol (PubChem CID 124526679) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
PubChem CID124526679
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol
SMILESCC[C@H](CO)N[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C11H21NO/c1-2-10(7-13)12-11-6-8-3-4-9(11)5-8/h8-13H,2-7H2,1H3/t8-,9-,10+,11-/m0/s1
InChIKeyFYFJUBHVTOMMRD-MMWGEVLESA-N
XLogP1.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol?
The IUPAC name of (2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol (CID 124526679) is (2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol.
What is the SMILES notation for (2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol?
The canonical SMILES for (2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol is CC[C@H](CO)N[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of (2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol?
The InChIKey is FYFJUBHVTOMMRD-MMWGEVLESA-N. The full InChI is InChI=1S/C11H21NO/c1-2-10(7-13)12-11-6-8-3-4-9(11)5-8/h8-13H,2-7H2,1H3/t8-,9-,10+,11-/m0/s1.
What are the key properties of (2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol?
(2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]amino]butan-1-ol is sourced from PubChem (CID 124526679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).