[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride

C10H20ClN3O — CID 130804817

IUPAC[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride
SMILESC[C@@H]1CNC[C@H]1C(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-7-4-12-5-9(7)10(14)13-3-2-8(11)6-13;/h7-9,12H,2-6,11H2,1H3;1H/t7-,8-,9-;/m1./s1
InChIKeyAWQVXSCBNUINPJ-AQLQUXDBSA-N
MW233.74 g/mol
LogP-0.18
Rot. Bonds1

About [(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride

[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride (PubChem CID 130804817) has the molecular formula C10H20ClN3O and a molecular weight of 233.74 g/mol. Its IUPAC name is [(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride.

Molecular Properties

Compound Name[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride
PubChem CID130804817
Molecular FormulaC10H20ClN3O
Molecular Weight233.74 g/mol
Exact Mass233.13
IUPAC Name[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride
SMILESC[C@@H]1CNC[C@H]1C(=O)N1CC[C@@H](N)C1.Cl
InChIInChI=1S/C10H19N3O.ClH/c1-7-4-12-5-9(7)10(14)13-3-2-8(11)6-13;/h7-9,12H,2-6,11H2,1H3;1H/t7-,8-,9-;/m1./s1
InChIKeyAWQVXSCBNUINPJ-AQLQUXDBSA-N
XLogP-0.18
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.74
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride with MolForge

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Related Compounds

(3-fluoropyrrolidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 164657914
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 103950474
(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 79170250
2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]acetamide
CID 55228818
(3-hydroxypiperidin-1-yl)-(4-methylpyrrolidin-3-yl)methanone
CID 63715081
[(3S)-3-hydroxypiperidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 107222989
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(4-methylpyrrolidin-3-yl)methanone
CID 107220773
[(3S)-3-aminopyrrolidin-1-yl]-[(2R,6R)-6-methylmorpholin-2-yl]methanone
CID 141468099
(4-methylpyrrolidin-3-yl)-morpholin-4-ylmethanone
CID 63720609
(4-methylpyrrolidin-3-yl)-thiomorpholin-4-ylmethanone
CID 63715588
2-methyl-2-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-3-yl]propanoic acid
CID 83197741
2-methyl-N-[1-(4-methylpyrrolidine-3-carbonyl)piperidin-4-yl]propanamide
CID 63715305

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride?
The IUPAC name of [(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride (CID 130804817) is [(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride.
What is the SMILES notation for [(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride?
The canonical SMILES for [(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride is C[C@@H]1CNC[C@H]1C(=O)N1CC[C@@H](N)C1.Cl.
What is the InChIKey of [(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride?
The InChIKey is AWQVXSCBNUINPJ-AQLQUXDBSA-N. The full InChI is InChI=1S/C10H19N3O.ClH/c1-7-4-12-5-9(7)10(14)13-3-2-8(11)6-13;/h7-9,12H,2-6,11H2,1H3;1H/t7-,8-,9-;/m1./s1.
What are the key properties of [(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride?
[(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride has a molecular weight of 233.74 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopyrrolidin-1-yl]-[(3S,4S)-4-methylpyrrolidin-3-yl]methanone;hydrochloride is sourced from PubChem (CID 130804817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).