N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide

C13H23N2O2+ — CID 2233084

IUPACN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C13H22N2O2/c16-13(9-15-3-5-17-6-4-15)14-12-8-10-1-2-11(12)7-10/h10-12H,1-9H2,(H,14,16)/p+1/t10-,11+,12+/m0/s1
InChIKeyBPHJLOHQZJTDNP-QJPTWQEYSA-O
MW239.34 g/mol
LogP-0.79
Rot. Bonds3

About N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide

N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide (PubChem CID 2233084) has the molecular formula C13H23N2O2+ and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide.

Molecular Properties

Compound NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide
PubChem CID2233084
Molecular FormulaC13H23N2O2+
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC NameN-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide
SMILESO=C(C[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C13H22N2O2/c16-13(9-15-3-5-17-6-4-15)14-12-8-10-1-2-11(12)7-10/h10-12H,1-9H2,(H,14,16)/p+1/t10-,11+,12+/m0/s1
InChIKeyBPHJLOHQZJTDNP-QJPTWQEYSA-O
XLogP-0.79
TPSA42.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide with MolForge

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Related Compounds

N-bicyclo[2.2.1]hept-2-yl-2-(4-morpholinyl)acetamide
CID 2977485
2-morpholin-4-yl-N-[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]acetamide
CID 162657160
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-piperazin-1-ylacetamide
CID 73353481
Cambridge id 5460896
CID 2846537
N-(bicyclo[2.2.1]hept-2-ylethyl)-2-morpholin-4-ylacetamide, chloride
CID 2884191
N-(bicyclo[2.2.1]hept-2-ylethyl)-2-morpholin-4-ylacetamide
CID 2884192
N-bicyclo[2.2.1]hept-2-yl-2-(1-piperidinyl)acetamide
CID 2977588
4-(2-Bicyclo[2.2.1]heptanyl)-6-(methylamino)-1,4-oxazepan-5-one
CID 22985232
N-(2-bicyclo[2.2.1]heptanyl)-2-piperazin-1-ylacetamide
CID 64494706
1-(2-Bicyclo[2.2.1]heptanyl)piperazin-2-one
CID 64567657
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 67074263
1-(2-Bicyclo[2.2.1]heptanyl)piperazin-2-one;hydrochloride
CID 67085259

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide?
The IUPAC name of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide (CID 2233084) is N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide.
What is the SMILES notation for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide?
The canonical SMILES for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide is O=C(C[NH+]1CCOCC1)N[C@@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide?
The InChIKey is BPHJLOHQZJTDNP-QJPTWQEYSA-O. The full InChI is InChI=1S/C13H22N2O2/c16-13(9-15-3-5-17-6-4-15)14-12-8-10-1-2-11(12)7-10/h10-12H,1-9H2,(H,14,16)/p+1/t10-,11+,12+/m0/s1.
What are the key properties of N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide?
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide has a molecular weight of 239.34 g/mol, XLogP of -0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-morpholin-4-ium-4-ylacetamide is sourced from PubChem (CID 2233084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).