2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid

C8H11NO6 — CID 13261276

IUPAC2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid
SMILESCO[C@H]1C(=O)N(CC(=O)O)C(=O)[C@@H]1OC
InChIInChI=1S/C8H11NO6/c1-14-5-6(15-2)8(13)9(7(5)12)3-4(10)11/h5-6H,3H2,1-2H3,(H,10,11)/t5-,6-/m1/s1
InChIKeyPZHMCXJZEVUZRR-PHDIDXHHSA-N
MW217.18 g/mol
LogP-1.53
Rot. Bonds4

About 2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid

2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid (PubChem CID 13261276) has the molecular formula C8H11NO6 and a molecular weight of 217.18 g/mol. Its IUPAC name is 2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid
PubChem CID13261276
Molecular FormulaC8H11NO6
Molecular Weight217.18 g/mol
Exact Mass217.06
IUPAC Name2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid
SMILESCO[C@H]1C(=O)N(CC(=O)O)C(=O)[C@@H]1OC
InChIInChI=1S/C8H11NO6/c1-14-5-6(15-2)8(13)9(7(5)12)3-4(10)11/h5-6H,3H2,1-2H3,(H,10,11)/t5-,6-/m1/s1
InChIKeyPZHMCXJZEVUZRR-PHDIDXHHSA-N
XLogP-1.53
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 5-1.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid (CID 13261276) is 2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid is CO[C@H]1C(=O)N(CC(=O)O)C(=O)[C@@H]1OC.
What is the InChIKey of 2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid?
The InChIKey is PZHMCXJZEVUZRR-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H11NO6/c1-14-5-6(15-2)8(13)9(7(5)12)3-4(10)11/h5-6H,3H2,1-2H3,(H,10,11)/t5-,6-/m1/s1.
What are the key properties of 2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid?
2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid has a molecular weight of 217.18 g/mol, XLogP of -1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4R)-3,4-dimethoxy-2,5-dioxopyrrolidin-1-yl]acetic acid is sourced from PubChem (CID 13261276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).