[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride

C12H23ClN2O — CID 119412481

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
SMILESCCCC1(C(=O)N2CC[C@@H](N)C2)CCC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-2-5-12(6-3-7-12)11(15)14-8-4-10(13)9-14;/h10H,2-9,13H2,1H3;1H/t10-;/m1./s1
InChIKeyJJEUUAHKIJODNC-HNCPQSOCSA-N
MW246.78 g/mol
LogP1.94
Rot. Bonds3

About [(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride (PubChem CID 119412481) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
PubChem CID119412481
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
SMILESCCCC1(C(=O)N2CC[C@@H](N)C2)CCC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-2-5-12(6-3-7-12)11(15)14-8-4-10(13)9-14;/h10H,2-9,13H2,1H3;1H/t10-;/m1./s1
InChIKeyJJEUUAHKIJODNC-HNCPQSOCSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.78
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119934487
(3-aminopiperidin-1-yl)-(1-propylcyclopropyl)methanone
CID 119380695
[(3R)-3-aminopyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 119412473
[3-(aminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 119465050
[3-(methylamino)piperidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 119492357
(4-aminopiperidin-1-yl)-[1-(2-methoxyethyl)cyclobutyl]methanone;hydrochloride
CID 119375948
[3-(hydroxymethyl)pyrrolidin-1-yl]-(3-propylpiperidin-3-yl)methanone
CID 112625019
[4-(methylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone;hydrochloride
CID 119545957
[4-(ethylaminomethyl)piperidin-1-yl]-(1-propylcyclopropyl)methanone
CID 119647399
[(3R)-3-(hydroxymethyl)pyrrolidin-1-yl]-[1-(2-methoxyethyl)cyclobutyl]methanone
CID 97246480
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride
CID 120803842
2-[1-(4-propylpiperidine-4-carbonyl)piperidin-4-yl]acetic acid
CID 79612982

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride (CID 119412481) is [(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride is CCCC1(C(=O)N2CC[C@@H](N)C2)CCC1.Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride?
The InChIKey is JJEUUAHKIJODNC-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-2-5-12(6-3-7-12)11(15)14-8-4-10(13)9-14;/h10H,2-9,13H2,1H3;1H/t10-;/m1./s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-(1-propylcyclobutyl)methanone;hydrochloride is sourced from PubChem (CID 119412481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).