[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone

C12H22N2O2 — CID 120791334

IUPAC[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCCN1C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C12H22N2O2/c1-12(2)6-3-7-14(12)11(15)10-5-4-9(8-13)16-10/h9-10H,3-8,13H2,1-2H3/t9-,10+/m1/s1
InChIKeyMREBXIZEDBDSNG-ZJUUUORDSA-N
MW226.32 g/mol
LogP0.89
Rot. Bonds2

About [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone (PubChem CID 120791334) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
PubChem CID120791334
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone
SMILESCC1(C)CCCN1C(=O)[C@@H]1CC[C@H](CN)O1
InChIInChI=1S/C12H22N2O2/c1-12(2)6-3-7-14(12)11(15)10-5-4-9(8-13)16-10/h9-10H,3-8,13H2,1-2H3/t9-,10+/m1/s1
InChIKeyMREBXIZEDBDSNG-ZJUUUORDSA-N
XLogP0.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-ethyl-4-methylpiperidin-1-yl)methanone
CID 120791432
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2-azaspiro[4.5]decan-2-yl)methanone
CID 120795064
[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]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone
CID 120795280
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(1-thia-4-azaspiro[5.5]undecan-4-yl)methanone;hydrochloride
CID 120795279
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(3,5-dimethylpiperidin-1-yl)methanone;hydrochloride
CID 120782805
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone
CID 120795128
[4-[(2S,5R)-5-(aminomethyl)oxolane-2-carbonyl]piperazin-1-yl]-cyclohexylmethanone
CID 120790356
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 120795296
4-(2,2-dimethylpyrrolidine-1-carbonyl)cyclohexane-1-carboxylic acid
CID 63783009
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-propan-2-ylpiperidin-1-yl)methanone;hydrochloride
CID 120795127
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,3-dimethylpyrrolidin-1-yl)methanone;hydrochloride
CID 120796305

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone (CID 120791334) is [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone is CC1(C)CCCN1C(=O)[C@@H]1CC[C@H](CN)O1.
What is the InChIKey of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is MREBXIZEDBDSNG-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2)6-3-7-14(12)11(15)10-5-4-9(8-13)16-10/h9-10H,3-8,13H2,1-2H3/t9-,10+/m1/s1.
What are the key properties of [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone?
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(2,2-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 120791334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).