(2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride

C12H23ClN2O — CID 119300932

IUPAC(2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCC1C1CCCC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-9(13)12(15)14-8-4-7-11(14)10-5-2-3-6-10;/h9-11H,2-8,13H2,1H3;1H/t9-,11?;/m0./s1
InChIKeyDEPOSGXOGXOGNN-QMOSYVFLSA-N
MW246.78 g/mol
LogP1.94
Rot. Bonds2

About (2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride

(2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride (PubChem CID 119300932) has the molecular formula C12H23ClN2O and a molecular weight of 246.78 g/mol. Its IUPAC name is (2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride
PubChem CID119300932
Molecular FormulaC12H23ClN2O
Molecular Weight246.78 g/mol
Exact Mass246.15
IUPAC Name(2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride
SMILESC[C@H](N)C(=O)N1CCCC1C1CCCC1.Cl
InChIInChI=1S/C12H22N2O.ClH/c1-9(13)12(15)14-8-4-7-11(14)10-5-2-3-6-10;/h9-11H,2-8,13H2,1H3;1H/t9-,11?;/m0./s1
InChIKeyDEPOSGXOGXOGNN-QMOSYVFLSA-N
XLogP1.94
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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

2-amino-1-(2-cyclopropylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 130978633
(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-3-methylbutan-1-one
CID 65320801
1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 61063339
(2S,3S)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-3-methylpentan-1-one
CID 102726137
2-amino-1-(2-cyclopentylpyrrolidin-1-yl)-3-methoxypropan-1-one
CID 81088765
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897399
2-amino-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-1-one
CID 130734923
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-sulfanylpropan-1-one
CID 107031197
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminopentan-1-one
CID 102726243
(2S)-1-[(5aR,8aR)-2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl]-2-aminopropan-1-one
CID 129498922
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-aminobutan-1-one
CID 60837184
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,2-difluoroethanone
CID 103515401

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride (CID 119300932) is (2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride is C[C@H](N)C(=O)N1CCCC1C1CCCC1.Cl.
What is the InChIKey of (2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride?
The InChIKey is DEPOSGXOGXOGNN-QMOSYVFLSA-N. The full InChI is InChI=1S/C12H22N2O.ClH/c1-9(13)12(15)14-8-4-7-11(14)10-5-2-3-6-10;/h9-11H,2-8,13H2,1H3;1H/t9-,11?;/m0./s1.
What are the key properties of (2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride?
(2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride has a molecular weight of 246.78 g/mol, XLogP of 1.94, 2 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-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 119300932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).