(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride

C11H15ClN2O — CID 91647685

IUPAC(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1Cc2ccccc2C1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-8(12)11(14)13-6-9-4-2-3-5-10(9)7-13;/h2-5,8H,6-7,12H2,1H3;1H/t8-;/m1./s1
InChIKeyGEOWNTAEDLVSTJ-DDWIOCJRSA-N
MW226.71 g/mol
LogP1.30
Rot. Bonds1

About (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride

(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride (PubChem CID 91647685) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
PubChem CID91647685
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
SMILESC[C@@H](N)C(=O)N1Cc2ccccc2C1.Cl
InChIInChI=1S/C11H14N2O.ClH/c1-8(12)11(14)13-6-9-4-2-3-5-10(9)7-13;/h2-5,8H,6-7,12H2,1H3;1H/t8-;/m1./s1
InChIKeyGEOWNTAEDLVSTJ-DDWIOCJRSA-N
XLogP1.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647686
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 69186107
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 62232341
1,4-bis(1,3-dihydroisoindol-2-yl)-2,3-dimethylbutane-1,4-dione
CID 119035210
1-(1,3-dihydroisoindol-2-yl)-2-sulfanylpropan-1-one
CID 107028048
2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119777884
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3,3-dimethylbutan-1-one
CID 55049812
2-amino-1-(4,4-dimethyl-1,3-dihydroisoquinolin-2-yl)propan-1-one
CID 83626790
(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxybutan-1-one
CID 143154451
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)pentan-1-one
CID 94373290
3-(1,3-dihydroisoindol-2-yl)-2-methyl-3-oxopropanenitrile
CID 62231351
2-[(2R)-2-aminopropanoyl]-3,4-dihydro-1H-isoquinoline-5-carboxylic acid
CID 104558998

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride?
The IUPAC name of (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride (CID 91647685) is (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride is C[C@@H](N)C(=O)N1Cc2ccccc2C1.Cl.
What is the InChIKey of (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride?
The InChIKey is GEOWNTAEDLVSTJ-DDWIOCJRSA-N. The full InChI is InChI=1S/C11H14N2O.ClH/c1-8(12)11(14)13-6-9-4-2-3-5-10(9)7-13;/h2-5,8H,6-7,12H2,1H3;1H/t8-;/m1./s1.
What are the key properties of (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride?
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride has a molecular weight of 226.71 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 91647685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).