3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone

C13H23N3O2 — CID 120800238

IUPAC3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCN3CCCC3C2)O1
InChIInChI=1S/C13H23N3O2/c14-8-11-3-4-12(18-11)13(17)16-7-6-15-5-1-2-10(15)9-16/h10-12H,1-9,14H2/t10?,11-,12+/m1/s1
InChIKeyIUGLCJPUDZWLLM-SAIIYOCFSA-N
MW253.35 g/mol
LogP-0.20
Rot. Bonds2

About 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone

3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone (PubChem CID 120800238) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone.

Molecular Properties

Compound Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone
PubChem CID120800238
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone
SMILESNC[C@H]1CC[C@@H](C(=O)N2CCN3CCCC3C2)O1
InChIInChI=1S/C13H23N3O2/c14-8-11-3-4-12(18-11)13(17)16-7-6-15-5-1-2-10(15)9-16/h10-12H,1-9,14H2/t10?,11-,12+/m1/s1
InChIKeyIUGLCJPUDZWLLM-SAIIYOCFSA-N
XLogP-0.20
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone with MolForge

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Related Compounds

[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 120793203
(3S)-1-[5-(aminomethyl)oxolane-2-carbonyl]piperidine-3-carboxylic acid
CID 81126219
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 120788294
[5-(aminomethyl)oxolan-2-yl]-(3-methoxypiperidin-1-yl)methanone
CID 102957664
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 120792916
[5-(aminomethyl)oxolan-2-yl]-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220593
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3-ethylpyrrolidin-1-yl)methanone
CID 120796524
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 120783849
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
N-[1-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperidin-3-yl]-2-methylpropanamide
CID 120790922
1-[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-2-cyclohexylethanone
CID 120791454

Frequently Asked Questions

What is the IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone?
The IUPAC name of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone (CID 120800238) is 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone.
What is the SMILES notation for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone?
The canonical SMILES for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone is NC[C@H]1CC[C@@H](C(=O)N2CCN3CCCC3C2)O1.
What is the InChIKey of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone?
The InChIKey is IUGLCJPUDZWLLM-SAIIYOCFSA-N. The full InChI is InChI=1S/C13H23N3O2/c14-8-11-3-4-12(18-11)13(17)16-7-6-15-5-1-2-10(15)9-16/h10-12H,1-9,14H2/t10?,11-,12+/m1/s1.
What are the key properties of 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone?
3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone has a molecular weight of 253.35 g/mol, XLogP of -0.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl-[(2S,5R)-5-(aminomethyl)oxolan-2-yl]methanone is sourced from PubChem (CID 120800238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).