(2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid

C14H24N2O4 — CID 102944933

IUPAC(2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
SMILESCC(C)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1
InChIInChI=1S/C14H24N2O4/c1-10(2)9-15-5-7-16(8-6-15)13(17)11-3-4-12(20-11)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyYKWRATIERFTGKV-NWDGAFQWSA-N
MW284.36 g/mol
LogP0.42
Rot. Bonds4

About (2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid

(2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid (PubChem CID 102944933) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is (2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
PubChem CID102944933
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name(2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
SMILESCC(C)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1
InChIInChI=1S/C14H24N2O4/c1-10(2)9-15-5-7-16(8-6-15)13(17)11-3-4-12(20-11)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)/t11-,12+/m0/s1
InChIKeyYKWRATIERFTGKV-NWDGAFQWSA-N
XLogP0.42
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-propylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102687439
(2R,5S)-5-(4-propan-2-ylpiperazine-1-carbonyl)oxolane-2-carboxylic acid
CID 102944528
(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
cyclohexyl-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 113072857
(2R,5S)-5-(4-acetyl-1,4-diazepane-1-carbonyl)oxolane-2-carboxylic acid
CID 102945101
2-[4-(2-methylpropyl)piperazine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 60950003
5-[4-(2-methoxyacetyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid
CID 102688160
[4-(2-methylpropyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 113072893
5-(morpholine-4-carbonyl)oxolane-2-carboxylic acid
CID 102687423
(2R,5S)-5-(4-aminopiperidine-1-carbonyl)oxolane-2-carboxylic acid
CID 102945045

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid (CID 102944933) is (2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid is CC(C)CN1CCN(C(=O)[C@@H]2CC[C@H](C(=O)O)O2)CC1.
What is the InChIKey of (2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid?
The InChIKey is YKWRATIERFTGKV-NWDGAFQWSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-10(2)9-15-5-7-16(8-6-15)13(17)11-3-4-12(20-11)14(18)19/h10-12H,3-9H2,1-2H3,(H,18,19)/t11-,12+/m0/s1.
What are the key properties of (2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[4-(2-methylpropyl)piperazine-1-carbonyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).