2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide

C11H20N2O2 — CID 175928246

IUPAC2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide
SMILESCC(O)C(C(N)=O)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C11H20N2O2/c1-6(14)10(11(12)15)7-4-8-2-3-9(5-7)13-8/h6-10,13-14H,2-5H2,1H3,(H2,12,15)/t6?,7?,8-,9+,10?
InChIKeyIRFXHYDGTMFNPK-FTKOINSTSA-N
MW212.29 g/mol
LogP-0.00
Rot. Bonds3

About 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide

2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide (PubChem CID 175928246) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide.

Molecular Properties

Compound Name2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide
PubChem CID175928246
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide
SMILESCC(O)C(C(N)=O)C1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C11H20N2O2/c1-6(14)10(11(12)15)7-4-8-2-3-9(5-7)13-8/h6-10,13-14H,2-5H2,1H3,(H2,12,15)/t6?,7?,8-,9+,10?
InChIKeyIRFXHYDGTMFNPK-FTKOINSTSA-N
XLogP-0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-butan-2-yl-8-azabicyclo[3.2.1]octane
CID 89423739
8-azabicyclo[3.2.1]octan-3-yl(methoxy)methanol
CID 129167177
3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 126845861
2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-N-carbamoylpropanamide
CID 61231473
1-(8-azabicyclo[3.2.1]octan-3-yl)butan-1-ol
CID 105440841
(1S,5R)-3-propan-2-ylsulfonyl-8-azabicyclo[3.2.1]octane
CID 97301302
3-[[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]amino]-2-hydroxypropanamide
CID 106175674
8-azabicyclo[3.2.1]octan-3-yl(methyl)phosphane
CID 143702313
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-methoxypropanamide
CID 115736861
31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
CID 90736283
propan-2-yl 2-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]acetate
CID 61231285
N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-propan-2-yloxyacetamide
CID 112703716

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide?
The IUPAC name of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide (CID 175928246) is 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide.
What is the SMILES notation for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide?
The canonical SMILES for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide is CC(O)C(C(N)=O)C1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide?
The InChIKey is IRFXHYDGTMFNPK-FTKOINSTSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-6(14)10(11(12)15)7-4-8-2-3-9(5-7)13-8/h6-10,13-14H,2-5H2,1H3,(H2,12,15)/t6?,7?,8-,9+,10?.
What are the key properties of 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide?
2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide has a molecular weight of 212.29 g/mol, XLogP of -0.00, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-3-hydroxybutanamide is sourced from PubChem (CID 175928246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).