2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid

C9H13NO5 — CID 106108334

IUPAC2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
SMILESCOC(CN1C(=O)CC(C)C1=O)C(=O)O
InChIInChI=1S/C9H13NO5/c1-5-3-7(11)10(8(5)12)4-6(15-2)9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyVNLPPEDASQVFIF-UHFFFAOYSA-N
MW215.20 g/mol
LogP-0.52
Rot. Bonds4

About 2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid

2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid (PubChem CID 106108334) has the molecular formula C9H13NO5 and a molecular weight of 215.20 g/mol. Its IUPAC name is 2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
PubChem CID106108334
Molecular FormulaC9H13NO5
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
SMILESCOC(CN1C(=O)CC(C)C1=O)C(=O)O
InChIInChI=1S/C9H13NO5/c1-5-3-7(11)10(8(5)12)4-6(15-2)9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14)
InChIKeyVNLPPEDASQVFIF-UHFFFAOYSA-N
XLogP-0.52
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 5-0.52
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

methyl 2-bromo-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoate
CID 81092584
3-(2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl)-2-methoxypropanoic acid
CID 106108314
1-[2-hydroxy-3-(methylamino)propyl]-3-methylpyrrolidine-2,5-dione
CID 61238098
3-methyl-1-(2-propan-2-yloxyethyl)pyrrolidine-2,5-dione
CID 167490860
ethane;4-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]cyclohexane-1-carboxylic acid
CID 145431015
1-[2-amino-2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidine-2,5-dione
CID 61237914
(3S)-3-methyl-1-[[4-(2-methylpropanoyl)cyclohexyl]methyl]pyrrolidine-2,5-dione
CID 134510381
2-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid
CID 58728330
3-(5,6-difluoro-1,3-dioxoisoindol-2-yl)-2-methoxypropanoic acid
CID 106108327
3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanethioamide
CID 61238117
N'-fluoro-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanehydrazide
CID 153342826
5-[(3-methyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 62299952

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid?
The IUPAC name of 2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid (CID 106108334) is 2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid?
The canonical SMILES for 2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid is COC(CN1C(=O)CC(C)C1=O)C(=O)O.
What is the InChIKey of 2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid?
The InChIKey is VNLPPEDASQVFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO5/c1-5-3-7(11)10(8(5)12)4-6(15-2)9(13)14/h5-6H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid?
2-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid has a molecular weight of 215.20 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-methoxy-3-(3-methyl-2,5-dioxopyrrolidin-1-yl)propanoic acid is sourced from PubChem (CID 106108334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).