2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid

C15H18N2O4 — CID 119200744

IUPAC2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
SMILESCN(C(=O)CN1Cc2ccccc2C1=O)C(C)(C)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-15(2,14(20)21)16(3)12(18)9-17-8-10-6-4-5-7-11(10)13(17)19/h4-7H,8-9H2,1-3H3,(H,20,21)
InChIKeyANQZDXGTGNAHMR-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.96
Rot. Bonds4

About 2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid

2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid (PubChem CID 119200744) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
PubChem CID119200744
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid
SMILESCN(C(=O)CN1Cc2ccccc2C1=O)C(C)(C)C(=O)O
InChIInChI=1S/C15H18N2O4/c1-15(2,14(20)21)16(3)12(18)9-17-8-10-6-4-5-7-11(10)13(17)19/h4-7H,8-9H2,1-3H3,(H,20,21)
InChIKeyANQZDXGTGNAHMR-UHFFFAOYSA-N
XLogP0.96
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid (CID 119200744) is 2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid is CN(C(=O)CN1Cc2ccccc2C1=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid?
The InChIKey is ANQZDXGTGNAHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-15(2,14(20)21)16(3)12(18)9-17-8-10-6-4-5-7-11(10)13(17)19/h4-7H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid has a molecular weight of 290.32 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119200744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).