[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

C12H22N2O2 — CID 103355744

IUPAC[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1CC(CN)(C(=O)N2CCC(C)(O)C2)C1
InChIInChI=1S/C12H22N2O2/c1-9-5-12(6-9,7-13)10(15)14-4-3-11(2,16)8-14/h9,16H,3-8,13H2,1-2H3
InChIKeyBVYYORDRRLLBQH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.34
Rot. Bonds2

About [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone

[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (PubChem CID 103355744) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
PubChem CID103355744
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
SMILESCC1CC(CN)(C(=O)N2CCC(C)(O)C2)C1
InChIInChI=1S/C12H22N2O2/c1-9-5-12(6-9,7-13)10(15)14-4-3-11(2,16)8-14/h9,16H,3-8,13H2,1-2H3
InChIKeyBVYYORDRRLLBQH-UHFFFAOYSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-3-methylcyclobutyl]-(4,4-dimethylpiperidin-1-yl)methanone
CID 80587278
[1-(aminomethyl)cyclopentyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone
CID 103355739
[1-(aminomethyl)cyclopropyl]-(3-hydroxy-3-methylazetidin-1-yl)methanone
CID 107219374
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 80588732
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 80587778
3-amino-1-(3-hydroxy-3-methylpyrrolidin-1-yl)propan-1-one
CID 103355732
[1-(aminomethyl)-3-methylcyclobutyl]-(4-methoxypiperidin-1-yl)methanone
CID 80588739
[1-(aminomethyl)cyclopentyl]-(4-hydroxy-4-methylazepan-1-yl)methanone
CID 107404093
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81465283
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 80588160
[1-(aminomethyl)-3-methylcyclobutyl]-[4-(trifluoromethyl)piperidin-1-yl]methanone
CID 80598312
[1-(aminomethyl)-3-methylcyclobutyl]-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)methanone
CID 80599475

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone (CID 103355744) is [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is CC1CC(CN)(C(=O)N2CCC(C)(O)C2)C1.
What is the InChIKey of [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
The InChIKey is BVYYORDRRLLBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9-5-12(6-9,7-13)10(15)14-4-3-11(2,16)8-14/h9,16H,3-8,13H2,1-2H3.
What are the key properties of [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone?
[1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone has a molecular weight of 226.32 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-3-methylcyclobutyl]-(3-hydroxy-3-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 103355744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).