(3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid

C14H15NO4 — CID 46895638

IUPAC(3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid
SMILESCC(C)[C@@H](CC(=O)O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15NO4/c1-8(2)11(7-12(16)17)15-13(18)9-5-3-4-6-10(9)14(15)19/h3-6,8,11H,7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyLQJIPPVANXQJFS-LLVKDONJSA-N
MW261.28 g/mol
LogP1.78
Rot. Bonds4

About (3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid

(3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid (PubChem CID 46895638) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is (3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name(3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid
PubChem CID46895638
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name(3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid
SMILESCC(C)[C@@H](CC(=O)O)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H15NO4/c1-8(2)11(7-12(16)17)15-13(18)9-5-3-4-6-10(9)14(15)19/h3-6,8,11H,7H2,1-2H3,(H,16,17)/t11-/m1/s1
InChIKeyLQJIPPVANXQJFS-LLVKDONJSA-N
XLogP1.78
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2S)-1-[(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutoxy]-3-methylbutan-2-yl]isoindole-1,3-dione
CID 10388968
(3S)-3-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoic acid
CID 762962
3-[(1,3-dioxoisoindol-2-yl)methyl]-4-methylpentanoic acid
CID 71583338
3-(1,3-dioxoisoindol-2-yl)-3-(2-methylphenyl)propanoic acid
CID 50877545
5-(1,3-dioxoisoindol-2-yl)hexanoic acid
CID 15847422
2-(2,5-dimethyl-4-oxohexan-3-yl)isoindole-1,3-dione
CID 70891240
(3R)-3-(1,3-dioxoisoindol-2-yl)-3-(4-propan-2-yloxyphenyl)propanoic acid
CID 7332926
N-[1-(1,3-dioxoisoindol-2-yl)ethyl]propanamide
CID 70491073
2-(3-oxobutan-2-yl)isoindole-1,3-dione
CID 12910747
3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 3121010
N-[1-(1,3-dioxoisoindol-2-yl)ethyl]acetamide
CID 70491121
(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methylbutanamide
CID 15513937

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid?
The IUPAC name of (3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid (CID 46895638) is (3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid.
What is the SMILES notation for (3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid?
The canonical SMILES for (3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid is CC(C)[C@@H](CC(=O)O)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid?
The InChIKey is LQJIPPVANXQJFS-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15NO4/c1-8(2)11(7-12(16)17)15-13(18)9-5-3-4-6-10(9)14(15)19/h3-6,8,11H,7H2,1-2H3,(H,16,17)/t11-/m1/s1.
What are the key properties of (3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid?
(3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid has a molecular weight of 261.28 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1,3-dioxoisoindol-2-yl)-4-methylpentanoic acid is sourced from PubChem (CID 46895638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).