2-(propylamino)ethyl oxolane-2-carboxylate

C10H19NO3 — CID 82532815

IUPAC2-(propylamino)ethyl oxolane-2-carboxylate
SMILESCCCNCCOC(=O)C1CCCO1
InChIInChI=1S/C10H19NO3/c1-2-5-11-6-8-14-10(12)9-4-3-7-13-9/h9,11H,2-8H2,1H3
InChIKeyNMQZLAPWRLVTLG-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.71
Rot. Bonds6

About 2-(propylamino)ethyl oxolane-2-carboxylate

2-(propylamino)ethyl oxolane-2-carboxylate (PubChem CID 82532815) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-(propylamino)ethyl oxolane-2-carboxylate.

Molecular Properties

Compound Name2-(propylamino)ethyl oxolane-2-carboxylate
PubChem CID82532815
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-(propylamino)ethyl oxolane-2-carboxylate
SMILESCCCNCCOC(=O)C1CCCO1
InChIInChI=1S/C10H19NO3/c1-2-5-11-6-8-14-10(12)9-4-3-7-13-9/h9,11H,2-8H2,1H3
InChIKeyNMQZLAPWRLVTLG-UHFFFAOYSA-N
XLogP0.71
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.71
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

3-(propylamino)propyl oxolane-2-carboxylate
CID 82532736
1-(propylamino)propan-2-yl oxolane-2-carboxylate
CID 82532677
N-[2-(propylamino)ethyl]oxolane-2-carboxamide
CID 62658997
but-3-enyl (2R)-oxolane-2-carboxylate
CID 101466422
2-(butylamino)butyl oxolane-2-carboxylate
CID 82532215
N-[2-(2-methoxyethylamino)ethyl]oxolane-2-carboxamide
CID 82993664
prop-2-enyl (2S)-oxolane-2-carboxylate
CID 93497313
N-[4-[[4-[2-(propylamino)ethoxy]benzoyl]amino]phenyl]oxolane-2-carboxamide
CID 90973263
(2S)-N-ethoxyoxolane-2-carboxamide
CID 103872070
3-(propylamino)propyl cyclohexanecarboxylate
CID 82532737
butan-2-yl oxolane-2-carboxylate
CID 134916565
ethyl 3-oxo-3-[(2S)-oxolan-2-yl]propanoate
CID 40787289

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)ethyl oxolane-2-carboxylate?
The IUPAC name of 2-(propylamino)ethyl oxolane-2-carboxylate (CID 82532815) is 2-(propylamino)ethyl oxolane-2-carboxylate.
What is the SMILES notation for 2-(propylamino)ethyl oxolane-2-carboxylate?
The canonical SMILES for 2-(propylamino)ethyl oxolane-2-carboxylate is CCCNCCOC(=O)C1CCCO1.
What is the InChIKey of 2-(propylamino)ethyl oxolane-2-carboxylate?
The InChIKey is NMQZLAPWRLVTLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-2-5-11-6-8-14-10(12)9-4-3-7-13-9/h9,11H,2-8H2,1H3.
What are the key properties of 2-(propylamino)ethyl oxolane-2-carboxylate?
2-(propylamino)ethyl oxolane-2-carboxylate has a molecular weight of 201.27 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)ethyl oxolane-2-carboxylate is sourced from PubChem (CID 82532815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).