(2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid

C11H16N2O5 — CID 102945261

IUPAC(2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCC1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H16N2O5/c1-6-9(14)12-4-5-13(6)10(15)7-2-3-8(18-7)11(16)17/h6-8H,2-5H2,1H3,(H,12,14)(H,16,17)/t6?,7-,8+/m0/s1
InChIKeyDOTRRVSDFPIURX-ZHFSPANRSA-N
MW256.26 g/mol
LogP-1.03
Rot. Bonds2

About (2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid

(2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102945261) has the molecular formula C11H16N2O5 and a molecular weight of 256.26 g/mol. Its IUPAC name is (2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
PubChem CID102945261
Molecular FormulaC11H16N2O5
Molecular Weight256.26 g/mol
Exact Mass256.11
IUPAC Name(2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCC1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1
InChIInChI=1S/C11H16N2O5/c1-6-9(14)12-4-5-13(6)10(15)7-2-3-8(18-7)11(16)17/h6-8H,2-5H2,1H3,(H,12,14)(H,16,17)/t6?,7-,8+/m0/s1
InChIKeyDOTRRVSDFPIURX-ZHFSPANRSA-N
XLogP-1.03
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 63607255
3-methyl-4-[(3S)-piperidine-3-carbonyl]piperazin-2-one
CID 81139872
4-acetyl-3-methylpiperazin-2-one
CID 13190467
3-methyl-4-(4-methylpyrrolidine-3-carbonyl)piperazin-2-one
CID 63714193
3-methyl-4-[(2R)-piperidine-2-carbonyl]piperazin-2-one
CID 104913941
(2S)-1-(2-methyl-3-oxopiperazine-1-carbonyl)pyrrolidine-2-carboxylic acid
CID 78946545
4-(3,3-difluorocyclopentanecarbonyl)-3-methylpiperazin-2-one
CID 114094357
3-methyl-4-(1-methylsulfonylpiperidine-3-carbonyl)piperazin-2-one
CID 63078843
N,N-dimethyl-4-(2-methyl-3-oxopiperazine-1-carbonyl)piperidine-1-carboxamide
CID 63373671
3-methyl-4-(2-sulfanylpropanoyl)piperazin-2-one
CID 107029810
(3S)-3-methyl-4-prop-2-enoylpiperazin-2-one
CID 129371182
4-(2-cyclopropylpropanoyl)-3-methylpiperazin-2-one
CID 79506767

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid (CID 102945261) is (2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid is CC1C(=O)NCCN1C(=O)[C@@H]1CC[C@H](C(=O)O)O1.
What is the InChIKey of (2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is DOTRRVSDFPIURX-ZHFSPANRSA-N. The full InChI is InChI=1S/C11H16N2O5/c1-6-9(14)12-4-5-13(6)10(15)7-2-3-8(18-7)11(16)17/h6-8H,2-5H2,1H3,(H,12,14)(H,16,17)/t6?,7-,8+/m0/s1.
What are the key properties of (2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 256.26 g/mol, XLogP of -1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(2-methyl-3-oxopiperazine-1-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102945261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).