(3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one

C14H20N2O2 — CID 146400432

IUPAC(3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one
SMILESCC[C@@H](C)C(N)C(=O)N1Cc2ccc(O)cc2C1
InChIInChI=1S/C14H20N2O2/c1-3-9(2)13(15)14(18)16-7-10-4-5-12(17)6-11(10)8-16/h4-6,9,13,17H,3,7-8,15H2,1-2H3/t9-,13?/m1/s1
InChIKeyGEWFUXRJUOCWSB-CGCSKFHYSA-N
MW248.33 g/mol
LogP1.61
Rot. Bonds3

About (3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one

(3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one (PubChem CID 146400432) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is (3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name(3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one
PubChem CID146400432
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name(3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one
SMILESCC[C@@H](C)C(N)C(=O)N1Cc2ccc(O)cc2C1
InChIInChI=1S/C14H20N2O2/c1-3-9(2)13(15)14(18)16-7-10-4-5-12(17)6-11(10)8-16/h4-6,9,13,17H,3,7-8,15H2,1-2H3/t9-,13?/m1/s1
InChIKeyGEWFUXRJUOCWSB-CGCSKFHYSA-N
XLogP1.61
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119777884
(2S)-2-amino-1-[4-(4-hydroxyphenyl)piperazin-1-yl]-3-methylpentan-1-one
CID 61173212
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-1-[4-[(3-hydroxyphenyl)methyl]piperazin-1-yl]-3-methylpentan-1-one;dihydrochloride
CID 119873857
1-[5-(1-amino-2-methylbutyl)-1,3-dihydroisoindol-2-yl]propan-1-one
CID 82175296
2-[(2S)-2-amino-3-methylpentanoyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260962
(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
2-amino-1-(6,8-dichloro-3,4-dihydro-1H-isoquinolin-2-yl)-3-methylpentan-1-one;hydrochloride
CID 119813552
3-(ethylamino)-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpropan-1-one
CID 62852740
3-amino-1-(7-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methoxypropan-1-one
CID 114145002
1-(5-amino-1,3-dihydroisoindol-2-yl)-2-methylpropan-1-one
CID 66000085

Frequently Asked Questions

What is the IUPAC name of (3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one?
The IUPAC name of (3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one (CID 146400432) is (3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one.
What is the SMILES notation for (3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one?
The canonical SMILES for (3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one is CC[C@@H](C)C(N)C(=O)N1Cc2ccc(O)cc2C1.
What is the InChIKey of (3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one?
The InChIKey is GEWFUXRJUOCWSB-CGCSKFHYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-9(2)13(15)14(18)16-7-10-4-5-12(17)6-11(10)8-16/h4-6,9,13,17H,3,7-8,15H2,1-2H3/t9-,13?/m1/s1.
What are the key properties of (3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one?
(3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one has a molecular weight of 248.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one is sourced from PubChem (CID 146400432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).