2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid

C16H18N2O5 — CID 119200050

IUPAC2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N(C)C(C)(C)C(=O)O)C2=O
InChIInChI=1S/C16H18N2O5/c1-9-5-6-10-11(7-9)14(21)18(13(10)20)8-12(19)17(4)16(2,3)15(22)23/h5-7H,8H2,1-4H3,(H,22,23)
InChIKeyHJKIFUMMUNBGHU-UHFFFAOYSA-N
MW318.33 g/mol
LogP0.91
Rot. Bonds4

About 2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid

2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid (PubChem CID 119200050) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is 2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid
PubChem CID119200050
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC Name2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid
SMILESCc1ccc2c(c1)C(=O)N(CC(=O)N(C)C(C)(C)C(=O)O)C2=O
InChIInChI=1S/C16H18N2O5/c1-9-5-6-10-11(7-9)14(21)18(13(10)20)8-12(19)17(4)16(2,3)15(22)23/h5-7H,8H2,1-4H3,(H,22,23)
InChIKeyHJKIFUMMUNBGHU-UHFFFAOYSA-N
XLogP0.91
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(1,3-dioxoisoindol-2-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119199928
2-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoic acid
CID 61263948
N-(1-aminopropan-2-yl)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 119582495
N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 30860521
2-methyl-2-[methyl-[2-(4-methylphenyl)acetyl]amino]propanoic acid
CID 55123970
2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-5-methylisoindole-1,3-dione
CID 106146406
2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)-N-methyl-N-(4-methylphenyl)acetamide
CID 60622034
5-[[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]pentanoic acid
CID 119234321
N-(2-amino-2-ethylbutyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)acetamide
CID 119640987
2-[2-[(3aS,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-2-oxoethyl]-5-methylisoindole-1,3-dione
CID 120656152
3,3-dimethyl-N-[2-(5-methyl-1,3-dioxoisoindol-2-yl)ethyl]butanamide
CID 170299020
N-[2-(dimethylamino)ethyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
CID 60598898

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid (CID 119200050) is 2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid is Cc1ccc2c(c1)C(=O)N(CC(=O)N(C)C(C)(C)C(=O)O)C2=O.
What is the InChIKey of 2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid?
The InChIKey is HJKIFUMMUNBGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-9-5-6-10-11(7-9)14(21)18(13(10)20)8-12(19)17(4)16(2,3)15(22)23/h5-7H,8H2,1-4H3,(H,22,23).
What are the key properties of 2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid?
2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid has a molecular weight of 318.33 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 119200050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).