4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid

C14H25N3O4 — CID 66257035

IUPAC4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CN1CCNCC1)C1COCC1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-2-5-17(12-10-21-9-11(12)14(19)20)13(18)8-16-6-3-15-4-7-16/h11-12,15H,2-10H2,1H3,(H,19,20)
InChIKeyILIKVOPRAMEXLG-UHFFFAOYSA-N
MW299.37 g/mol
LogP-0.77
Rot. Bonds6

About 4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid

4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid (PubChem CID 66257035) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
PubChem CID66257035
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Name4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid
SMILESCCCN(C(=O)CN1CCNCC1)C1COCC1C(=O)O
InChIInChI=1S/C14H25N3O4/c1-2-5-17(12-10-21-9-11(12)14(19)20)13(18)8-16-6-3-15-4-7-16/h11-12,15H,2-10H2,1H3,(H,19,20)
InChIKeyILIKVOPRAMEXLG-UHFFFAOYSA-N
XLogP-0.77
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(1,4-diazepan-1-yl)acetyl]-methylamino]oxolane-3-carboxylic acid
CID 66237632
4-[[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66251659
4-[acetyl(propyl)amino]oxolane-3-carboxylic acid
CID 66257984
4-[[2-(methylamino)acetyl]-propylamino]oxolane-3-carboxylic acid
CID 66254737
4-[(2-propan-2-ylsulfanylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 66253390
4-[propyl(3,3,3-trifluoropropanoyl)amino]oxolane-3-carboxylic acid
CID 66252612
4-[[3-(hydroxymethyl)pyrrolidine-1-carbonyl]-propylamino]oxolane-3-carboxylic acid
CID 115965784
4-[(2-cyclobutylacetyl)-propylamino]oxolane-3-carboxylic acid
CID 103162016
4-[4-aminobutanoyl(propyl)amino]oxolane-3-carboxylic acid
CID 66254547
4-[propyl(2-propylpentanoyl)amino]oxolane-3-carboxylic acid
CID 82985265
4-[ethyl-(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]oxolane-3-carboxylic acid
CID 102962016
4-[(1-methylpyrrolidin-3-yl)carbamoyl-propylamino]oxolane-3-carboxylic acid
CID 66252918

Frequently Asked Questions

What is the IUPAC name of 4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid (CID 66257035) is 4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid is CCCN(C(=O)CN1CCNCC1)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid?
The InChIKey is ILIKVOPRAMEXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-2-5-17(12-10-21-9-11(12)14(19)20)13(18)8-16-6-3-15-4-7-16/h11-12,15H,2-10H2,1H3,(H,19,20).
What are the key properties of 4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid?
4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid has a molecular weight of 299.37 g/mol, XLogP of -0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-piperazin-1-ylacetyl)-propylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66257035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).