(2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid

C12H16N2O6 — CID 102945393

IUPAC(2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H16N2O6/c1-12(2)11(19)13-8(15)5-14(12)9(16)6-3-4-7(20-6)10(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)(H,13,15,19)/t6-,7+/m0/s1
InChIKeyWRVLGZYYQNNVPE-NKWVEPMBSA-N
MW284.27 g/mol
LogP-1.12
Rot. Bonds2

About (2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid

(2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102945393) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
PubChem CID102945393
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name(2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C12H16N2O6/c1-12(2)11(19)13-8(15)5-14(12)9(16)6-3-4-7(20-6)10(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)(H,13,15,19)/t6-,7+/m0/s1
InChIKeyWRVLGZYYQNNVPE-NKWVEPMBSA-N
XLogP-1.12
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
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 (2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid (CID 102945393) is (2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid is CC1(C)C(=O)NC(=O)CN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is WRVLGZYYQNNVPE-NKWVEPMBSA-N. The full InChI is InChI=1S/C12H16N2O6/c1-12(2)11(19)13-8(15)5-14(12)9(16)6-3-4-7(20-6)10(17)18/h6-7H,3-5H2,1-2H3,(H,17,18)(H,13,15,19)/t6-,7+/m0/s1.
What are the key properties of (2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(2,2-dimethyl-3,5-dioxopiperazine-1-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102945393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).