[(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid

C12H12N2O5 — CID 134279344

IUPAC[(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid
SMILESC[C@H](CON1C(=O)c2ccccc2C1=O)NC(=O)O
InChIInChI=1S/C12H12N2O5/c1-7(13-12(17)18)6-19-14-10(15)8-4-2-3-5-9(8)11(14)16/h2-5,7,13H,6H2,1H3,(H,17,18)/t7-/m1/s1
InChIKeyMLTIQQXLCSQNAL-SSDOTTSWSA-N
MW264.24 g/mol
LogP0.87
Rot. Bonds4

About [(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid

[(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid (PubChem CID 134279344) has the molecular formula C12H12N2O5 and a molecular weight of 264.24 g/mol. Its IUPAC name is [(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid
PubChem CID134279344
Molecular FormulaC12H12N2O5
Molecular Weight264.24 g/mol
Exact Mass264.07
IUPAC Name[(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid
SMILESC[C@H](CON1C(=O)c2ccccc2C1=O)NC(=O)O
InChIInChI=1S/C12H12N2O5/c1-7(13-12(17)18)6-19-14-10(15)8-4-2-3-5-9(8)11(14)16/h2-5,7,13H,6H2,1H3,(H,17,18)/t7-/m1/s1
InChIKeyMLTIQQXLCSQNAL-SSDOTTSWSA-N
XLogP0.87
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid
CID 131031670
2-(1,3-dioxoisoindol-2-yl)oxy-4-methylpentanoic acid
CID 85158774
benzyl (2R)-2-(1,3-dioxoisoindol-2-yl)oxypropanoate
CID 10592122
2-[2-[tert-butyl(dimethyl)silyl]oxypropoxy]isoindole-1,3-dione
CID 21111569
2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione
CID 715638
1-[6-[(1,3-dioxoisoindol-2-yl)oxymethyl]-2-pyridinyl]hexylcarbamic acid
CID 68607386
2-(4-oxopentoxy)isoindole-1,3-dione
CID 46910149
(1,3-dioxoisoindol-2-yl) (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 162341735
methyl (2S)-4-(1,3-dioxoisoindol-2-yl)oxy-2-(phenylmethoxycarbonylamino)butanoate
CID 102474081
2-[1-(chloroamino)ethoxy]isoindole-1,3-dione
CID 88887184
2-[(chloroamino)methoxy]isoindole-1,3-dione
CID 89136693
[(2R)-1-(1,3-dioxoisoindol-2-yl)pentan-2-yl]carbamic acid
CID 150921209

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid?
The IUPAC name of [(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid (CID 134279344) is [(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid.
What is the SMILES notation for [(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid?
The canonical SMILES for [(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid is C[C@H](CON1C(=O)c2ccccc2C1=O)NC(=O)O.
What is the InChIKey of [(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid?
The InChIKey is MLTIQQXLCSQNAL-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12N2O5/c1-7(13-12(17)18)6-19-14-10(15)8-4-2-3-5-9(8)11(14)16/h2-5,7,13H,6H2,1H3,(H,17,18)/t7-/m1/s1.
What are the key properties of [(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid?
[(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid has a molecular weight of 264.24 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(1,3-dioxoisoindol-2-yl)oxypropan-2-yl]carbamic acid is sourced from PubChem (CID 134279344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).