(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid

C13H13NO5 — CID 22795885

IUPAC(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid
SMILESO=C(O)[C@@H](O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H13NO5/c15-10(13(18)19)6-3-7-14-11(16)8-4-1-2-5-9(8)12(14)17/h1-2,4-5,10,15H,3,6-7H2,(H,18,19)/t10-/m0/s1
InChIKeyWTLYOHWTWSCGPD-JTQLQIEISA-N
MW263.25 g/mol
LogP0.51
Rot. Bonds5

About (2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid

(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid (PubChem CID 22795885) has the molecular formula C13H13NO5 and a molecular weight of 263.25 g/mol. Its IUPAC name is (2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid.

Molecular Properties

Compound Name(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid
PubChem CID22795885
Molecular FormulaC13H13NO5
Molecular Weight263.25 g/mol
Exact Mass263.08
IUPAC Name(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid
SMILESO=C(O)[C@@H](O)CCCN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H13NO5/c15-10(13(18)19)6-3-7-14-11(16)8-4-1-2-5-9(8)12(14)17/h1-2,4-5,10,15H,3,6-7H2,(H,18,19)/t10-/m0/s1
InChIKeyWTLYOHWTWSCGPD-JTQLQIEISA-N
XLogP0.51
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.25
LogP ≤ 50.51
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

2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropanoic acid
CID 67719573
2-(4-hydroxy-6-phenylhexyl)isoindole-1,3-dione
CID 58386199
[4-(1,3-dioxoisoindol-2-yl)-1-hydroxybutyl]phosphonic acid
CID 118915645
2-azido-5-(1,3-dioxoisoindol-2-yl)pentanoic acid
CID 139702305
2-bromo-5-(1,3-dioxoisoindol-2-yl)pentanoyl chloride
CID 89149120
2-(4-hydroxybutyl)isoindole-1,3-dione;2-(3-hydroxypropyl)isoindole-1,3-dione
CID 21468228
6-(1,3-dioxoisoindol-2-yl)hexanoic acid;manganese
CID 174657326
(2S)-2-[2-[4-(4-chlorophenyl)phenyl]-2-oxoethyl]-5-(1,3-dioxoisoindol-2-yl)pentanoic acid
CID 67805260
5-(1,3-dioxoisoindol-2-yl)pentanamide
CID 86775352
2-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
bis[3-(1,3-dioxoisoindol-2-yl)propyl]carbamic acid
CID 134307088

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid?
The IUPAC name of (2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid (CID 22795885) is (2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid.
What is the SMILES notation for (2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid?
The canonical SMILES for (2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid is O=C(O)[C@@H](O)CCCN1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid?
The InChIKey is WTLYOHWTWSCGPD-JTQLQIEISA-N. The full InChI is InChI=1S/C13H13NO5/c15-10(13(18)19)6-3-7-14-11(16)8-4-1-2-5-9(8)12(14)17/h1-2,4-5,10,15H,3,6-7H2,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid?
(2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid has a molecular weight of 263.25 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(1,3-dioxoisoindol-2-yl)-2-hydroxypentanoic acid is sourced from PubChem (CID 22795885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).