(2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid

C13H22N2O4 — CID 102944528

IUPAC(2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCC(C)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1
InChIInChI=1S/C13H22N2O4/c1-9(2)14-5-7-15(8-6-14)12(16)10-3-4-11(19-10)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyJXHVFDKUHQBEFS-WDEREUQCSA-N
MW270.33 g/mol
LogP0.17
Rot. Bonds3

About (2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid

(2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid (PubChem CID 102944528) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
PubChem CID102944528
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name(2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
SMILESCC(C)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1
InChIInChI=1S/C13H22N2O4/c1-9(2)14-5-7-15(8-6-14)12(16)10-3-4-11(19-10)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)/t10-,11+/m0/s1
InChIKeyJXHVFDKUHQBEFS-WDEREUQCSA-N
XLogP0.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944933
(2R,5S)-5-(4-acetyl-1,4-diazepane-1-carbonyl)oxolane-2-carboxylic acid
CID 102945101
5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102687423
5-(4-propylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687439
(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945045
5-[4-(2-methoxyacetyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688160
(2R,5S)-5-[(4-propan-2-ylpiperazin-1-yl)methyl]oxolane-2-carboxylic acid
CID 165455041
5-(3-methylpyrrolidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102688295
5-(3,5-dimethylpiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687444
(2R,5S)-5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944960
5-[4-(2-methoxy-2-oxoethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688229
(2R,5S)-5-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102944525

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid (CID 102944528) is (2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid is CC(C)N1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1.
What is the InChIKey of (2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid?
The InChIKey is JXHVFDKUHQBEFS-WDEREUQCSA-N. The full InChI is InChI=1S/C13H22N2O4/c1-9(2)14-5-7-15(8-6-14)12(16)10-3-4-11(19-10)13(17)18/h9-11H,3-8H2,1-2H3,(H,17,18)/t10-,11+/m0/s1.
What are the key properties of (2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid?
(2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid is sourced from PubChem (CID 102944528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).