2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione

C12H14N2O3 — CID 134896930

IUPAC2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione
SMILESC[C@H](O)[C@H](C)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H14N2O3/c1-7(8(2)15)13-14-11(16)9-5-3-4-6-10(9)12(14)17/h3-8,13,15H,1-2H3/t7-,8-/m0/s1
InChIKeyJCRHPHMEBVRRHE-YUMQZZPRSA-N
MW234.25 g/mol
LogP0.56
Rot. Bonds3

About 2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione

2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione (PubChem CID 134896930) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione
PubChem CID134896930
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione
SMILESC[C@H](O)[C@H](C)NN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C12H14N2O3/c1-7(8(2)15)13-14-11(16)9-5-3-4-6-10(9)12(14)17/h3-8,13,15H,1-2H3/t7-,8-/m0/s1
InChIKeyJCRHPHMEBVRRHE-YUMQZZPRSA-N
XLogP0.56
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione with MolForge

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Related Compounds

N-[4-[[(1,3-dioxoisoindol-2-yl)amino]-hydroxymethyl]phenyl]-2-methylpropanamide
CID 146482640
N-(1,3-dioxoisoindol-2-yl)-4-methylpentanamide
CID 142645113
2-[(1,3-dioxoisoindol-2-yl)amino]pentanedioic acid
CID 175505324
CID 66974961
CID 66974961
N-(1,3-dioxoisoindol-2-yl)-3-methylhexanamide
CID 75526472
N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide
CID 70491121
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
CID 163871249
CID 163871249
2-(1,3-dioxoisoindol-2-yl)propanehydrazide
CID 23761283
2-hydroxyisoindole-1,3-dione
CID 66775726
2-[1-(chloroamino)ethoxy]isoindole-1,3-dione
CID 88887184
N-(1,3-dioxoisoindol-2-yl)-2-methyl-3-phenylprop-2-enamide
CID 3820988

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione?
The IUPAC name of 2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione (CID 134896930) is 2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione?
The canonical SMILES for 2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione is C[C@H](O)[C@H](C)NN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione?
The InChIKey is JCRHPHMEBVRRHE-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-7(8(2)15)13-14-11(16)9-5-3-4-6-10(9)12(14)17/h3-8,13,15H,1-2H3/t7-,8-/m0/s1.
What are the key properties of 2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione?
2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione has a molecular weight of 234.25 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3S)-3-hydroxybutan-2-yl]amino]isoindole-1,3-dione is sourced from PubChem (CID 134896930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).