(2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide

C13H16N2O3 — CID 100629638

IUPAC(2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O
InChIInChI=1S/C13H16N2O3/c1-13(18,12(17)14-2)8-15-7-9-5-3-4-6-10(9)11(15)16/h3-6,18H,7-8H2,1-2H3,(H,14,17)/t13-/m0/s1
InChIKeyIQVJVRYDOYATIN-ZDUSSCGKSA-N
MW248.28 g/mol
LogP0.14
Rot. Bonds3

About (2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide

(2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide (PubChem CID 100629638) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide
PubChem CID100629638
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide
SMILESCNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O
InChIInChI=1S/C13H16N2O3/c1-13(18,12(17)14-2)8-15-7-9-5-3-4-6-10(9)11(15)16/h3-6,18H,7-8H2,1-2H3,(H,14,17)/t13-/m0/s1
InChIKeyIQVJVRYDOYATIN-ZDUSSCGKSA-N
XLogP0.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

propan-2-yl 2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoate
CID 119036422
N-(4-chloro-5-methyl-1H-pyrazol-3-yl)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanamide
CID 126820828
2-methyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
CID 119187853
methyl 2-[[2-[(2S)-2-hydroxy-2-methyl-3-(3-oxo-1H-isoindol-2-yl)propanoyl]oxyacetyl]-methylamino]benzoate
CID 100715278
N-methyl-3-oxo-1H-isoindole-2-carboxamide
CID 90890545
(3-oxo-1H-isoindol-2-yl)methyl acetate
CID 23274019
2-(aminomethyl)-3H-isoindol-1-one
CID 143012246
2-(5-methylhexyl)-3H-isoindol-1-one
CID 142016970
2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
CID 119200744
2-nonyl-3H-isoindol-1-one
CID 132543397
2,2-dimethyl-3-(1-oxo-4,5-dihydro-3H-2-benzazepin-2-yl)propanehydrazide
CID 104526869
ethane;2-methyl-3H-isoindol-1-one;propane
CID 171626915

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The IUPAC name of (2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide (CID 100629638) is (2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide.
What is the SMILES notation for (2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The canonical SMILES for (2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide is CNC(=O)[C@@](C)(O)CN1Cc2ccccc2C1=O.
What is the InChIKey of (2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide?
The InChIKey is IQVJVRYDOYATIN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-13(18,12(17)14-2)8-15-7-9-5-3-4-6-10(9)11(15)16/h3-6,18H,7-8H2,1-2H3,(H,14,17)/t13-/m0/s1.
What are the key properties of (2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide?
(2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide has a molecular weight of 248.28 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-N,2-dimethyl-3-(3-oxo-1H-isoindol-2-yl)propanamide is sourced from PubChem (CID 100629638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).