3-(propylamino)propyl oxolane-2-carboxylate

C11H21NO3 — CID 82532736

IUPAC3-(propylamino)propyl oxolane-2-carboxylate
SMILESCCCNCCCOC(=O)C1CCCO1
InChIInChI=1S/C11H21NO3/c1-2-6-12-7-4-9-15-11(13)10-5-3-8-14-10/h10,12H,2-9H2,1H3
InChIKeyGQPIRYSQLJAQGL-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.10
Rot. Bonds7

About 3-(propylamino)propyl oxolane-2-carboxylate

3-(propylamino)propyl oxolane-2-carboxylate (PubChem CID 82532736) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-(propylamino)propyl oxolane-2-carboxylate.

Molecular Properties

Compound Name3-(propylamino)propyl oxolane-2-carboxylate
PubChem CID82532736
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-(propylamino)propyl oxolane-2-carboxylate
SMILESCCCNCCCOC(=O)C1CCCO1
InChIInChI=1S/C11H21NO3/c1-2-6-12-7-4-9-15-11(13)10-5-3-8-14-10/h10,12H,2-9H2,1H3
InChIKeyGQPIRYSQLJAQGL-UHFFFAOYSA-N
XLogP1.10
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(propylamino)ethyl oxolane-2-carboxylate
CID 82532815
3-(propylamino)propyl cyclohexanecarboxylate
CID 82532737
1-(propylamino)propan-2-yl oxolane-2-carboxylate
CID 82532677
N-[2-(propylamino)ethyl]oxolane-2-carboxamide
CID 62658997
2-(butylamino)butyl oxolane-2-carboxylate
CID 82532215
but-3-enyl (2R)-oxolane-2-carboxylate
CID 101466422
N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide
CID 90973263
prop-2-enyl (2S)-oxolane-2-carboxylate
CID 93497313
butyl 1,4-dioxane-2-carboxylate
CID 112727937
(2R)-N-pentyloxolane-2-carboxamide
CID 146504537
3-(propylamino)propyl N-propylcarbamate
CID 166733433
(2S)-N-ethoxyoxolane-2-carboxamide
CID 103872070

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)propyl oxolane-2-carboxylate?
The IUPAC name of 3-(propylamino)propyl oxolane-2-carboxylate (CID 82532736) is 3-(propylamino)propyl oxolane-2-carboxylate.
What is the SMILES notation for 3-(propylamino)propyl oxolane-2-carboxylate?
The canonical SMILES for 3-(propylamino)propyl oxolane-2-carboxylate is CCCNCCCOC(=O)C1CCCO1.
What is the InChIKey of 3-(propylamino)propyl oxolane-2-carboxylate?
The InChIKey is GQPIRYSQLJAQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-2-6-12-7-4-9-15-11(13)10-5-3-8-14-10/h10,12H,2-9H2,1H3.
What are the key properties of 3-(propylamino)propyl oxolane-2-carboxylate?
3-(propylamino)propyl oxolane-2-carboxylate has a molecular weight of 215.29 g/mol, XLogP of 1.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)propyl oxolane-2-carboxylate is sourced from PubChem (CID 82532736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).