4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid

C13H23N3O4 — CID 66240346

IUPAC4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC(C)N1CCN(C(=O)NC2COCC2C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-9(2)15-3-5-16(6-4-15)13(19)14-11-8-20-7-10(11)12(17)18/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyVRDONWZFUJCDEZ-UHFFFAOYSA-N
MW285.34 g/mol
LogP-0.18
Rot. Bonds3

About 4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid

4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid (PubChem CID 66240346) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
PubChem CID66240346
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
SMILESCC(C)N1CCN(C(=O)NC2COCC2C(=O)O)CC1
InChIInChI=1S/C13H23N3O4/c1-9(2)15-3-5-16(6-4-15)13(19)14-11-8-20-7-10(11)12(17)18/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18)
InChIKeyVRDONWZFUJCDEZ-UHFFFAOYSA-N
XLogP-0.18
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4,4-dimethylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239177
4-[(4,4-dimethylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239386
4-[[4-(trifluoromethyl)piperidine-1-carbonyl]amino]oxolane-3-carboxylic acid
CID 66240185
4-[(3-hydroxypiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66240354
4-[(3,5-dioxopiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66241377
4-[[(2R)-2-aminopropanoyl]amino]oxolane-3-carboxylic acid
CID 66238925
4-[(2-methylazepane-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 66239382
4-(hexa-2,4-dienoylamino)oxolane-3-carboxylic acid
CID 77115073
2-[4-[(2,3-dimethylcyclopentyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 64923423
4-(methylamino)-N-(1-propan-2-ylpiperidin-4-yl)oxolane-3-carboxamide
CID 66265010
4-(3-methylpentanoylamino)oxolane-3-carboxylic acid
CID 114873780
4-(1-cyclopropylethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66241338

Frequently Asked Questions

What is the IUPAC name of 4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid (CID 66240346) is 4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid is CC(C)N1CCN(C(=O)NC2COCC2C(=O)O)CC1.
What is the InChIKey of 4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid?
The InChIKey is VRDONWZFUJCDEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-9(2)15-3-5-16(6-4-15)13(19)14-11-8-20-7-10(11)12(17)18/h9-11H,3-8H2,1-2H3,(H,14,19)(H,17,18).
What are the key properties of 4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid?
4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid has a molecular weight of 285.34 g/mol, XLogP of -0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-propan-2-ylpiperazine-1-carbonyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).