2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid

C15H16N2O5 — CID 119346595

IUPAC2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)N(C)CC(=O)O)C2=O
InChIInChI=1S/C15H16N2O5/c1-8-4-5-10-11(6-8)15(22)17(14(10)21)9(2)13(20)16(3)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)
InChIKeyUCBSFHRMAKUCKC-UHFFFAOYSA-N
MW304.30 g/mol
LogP0.52
Rot. Bonds4

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

2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid (PubChem CID 119346595) has the molecular formula C15H16N2O5 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid
PubChem CID119346595
Molecular FormulaC15H16N2O5
Molecular Weight304.30 g/mol
Exact Mass304.11
IUPAC Name2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid
SMILESCc1ccc2c(c1)C(=O)N(C(C)C(=O)N(C)CC(=O)O)C2=O
InChIInChI=1S/C15H16N2O5/c1-8-4-5-10-11(6-8)15(22)17(14(10)21)9(2)13(20)16(3)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)
InChIKeyUCBSFHRMAKUCKC-UHFFFAOYSA-N
XLogP0.52
TPSA94.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 50.52
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

(2R)-N-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]propanamide
CID 31852932
2-(5-amino-1,3-dioxoisoindol-2-yl)-N-ethyl-N-methylpropanamide
CID 103111205
2-[2-acetamidoethyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]propanoic acid
CID 122065155
[1-(N-methylanilino)-1-oxopropan-2-yl] 2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoate
CID 55375293
3-methyl-2-(5-methyl-1,3-dioxoisoindol-2-yl)pentanoic acid
CID 43345958
N-[(2S)-1-aminopropan-2-yl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120509037
1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]piperidine-4-carboxylic acid
CID 119349799
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 120944416
N-(3-amino-2-methylpropyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119995908
2-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-methylisoindole-1,3-dione
CID 79244817
N-(2-amino-2-phenylethyl)-2-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 119528388
(2S)-1-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 122065095

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid?
The IUPAC name of 2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid (CID 119346595) is 2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid is Cc1ccc2c(c1)C(=O)N(C(C)C(=O)N(C)CC(=O)O)C2=O.
What is the InChIKey of 2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid?
The InChIKey is UCBSFHRMAKUCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5/c1-8-4-5-10-11(6-8)15(22)17(14(10)21)9(2)13(20)16(3)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19).
What are the key properties of 2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid?
2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid has a molecular weight of 304.30 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(5-methyl-1,3-dioxoisoindol-2-yl)propanoyl]amino]acetic acid is sourced from PubChem (CID 119346595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).