(2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride

C9H19ClN2O — CID 131089577

IUPAC(2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESCC1CCC(C)N1C(=O)[C@H](C)N.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-6-4-5-7(2)11(6)9(12)8(3)10;/h6-8H,4-5,10H2,1-3H3;1H/t6?,7?,8-;/m0./s1
InChIKeyATERJTJIJKDRJT-CEGZMALOSA-N
MW206.72 g/mol
LogP1.15
Rot. Bonds1

About (2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride

(2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride (PubChem CID 131089577) has the molecular formula C9H19ClN2O and a molecular weight of 206.72 g/mol. Its IUPAC name is (2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride
PubChem CID131089577
Molecular FormulaC9H19ClN2O
Molecular Weight206.72 g/mol
Exact Mass206.12
IUPAC Name(2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESCC1CCC(C)N1C(=O)[C@H](C)N.Cl
InChIInChI=1S/C9H18N2O.ClH/c1-6-4-5-7(2)11(6)9(12)8(3)10;/h6-8H,4-5,10H2,1-3H3;1H/t6?,7?,8-;/m0./s1
InChIKeyATERJTJIJKDRJT-CEGZMALOSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.72
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-[(2R)-2-methyl-5-propan-2-ylpyrrolidin-1-yl]propan-1-one
CID 135299968
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylpropan-1-one
CID 100963844
2-amino-1-(2,6-dimethylpiperazin-1-yl)propan-1-one
CID 130718849
(2R)-2-amino-1-(8-azabicyclo[3.2.1]octan-8-yl)propan-1-one
CID 130949881
1-[(2S,5S)-2,5-dimethylpyrrolidin-1-yl]-2-methylbutan-1-one
CID 100963841
(2R)-2-amino-1-(2,6-dimethylpiperidin-1-yl)-3,3-dimethylbutan-1-one
CID 103928383
2-amino-1-(4-methylpiperidin-1-yl)propan-1-one
CID 18715079
bis(2,5-dimethylpyrrolidin-1-yl)methanone
CID 91030343
2-amino-1-[(3S)-3-methylpiperidin-1-yl]propan-1-one;hydrochloride
CID 130694728
(2R)-2-amino-1-(4-aminopiperidin-1-yl)propan-1-one;hydrochloride
CID 131089631
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride (CID 131089577) is (2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride is CC1CCC(C)N1C(=O)[C@H](C)N.Cl.
What is the InChIKey of (2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is ATERJTJIJKDRJT-CEGZMALOSA-N. The full InChI is InChI=1S/C9H18N2O.ClH/c1-6-4-5-7(2)11(6)9(12)8(3)10;/h6-8H,4-5,10H2,1-3H3;1H/t6?,7?,8-;/m0./s1.
What are the key properties of (2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride?
(2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 206.72 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(2,5-dimethylpyrrolidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 131089577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).