oxolan-3-yl 2-(propylamino)acetate

C9H17NO3 — CID 63556873

IUPACoxolan-3-yl 2-(propylamino)acetate
SMILESCCCNCC(=O)OC1CCOC1
InChIInChI=1S/C9H17NO3/c1-2-4-10-6-9(11)13-8-3-5-12-7-8/h8,10H,2-7H2,1H3
InChIKeyWOZNKSGNWCCMFH-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds5

About oxolan-3-yl 2-(propylamino)acetate

oxolan-3-yl 2-(propylamino)acetate (PubChem CID 63556873) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is oxolan-3-yl 2-(propylamino)acetate.

Molecular Properties

Compound Nameoxolan-3-yl 2-(propylamino)acetate
PubChem CID63556873
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameoxolan-3-yl 2-(propylamino)acetate
SMILESCCCNCC(=O)OC1CCOC1
InChIInChI=1S/C9H17NO3/c1-2-4-10-6-9(11)13-8-3-5-12-7-8/h8,10H,2-7H2,1H3
InChIKeyWOZNKSGNWCCMFH-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
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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Frequently Asked Questions

What is the IUPAC name of oxolan-3-yl 2-(propylamino)acetate?
The IUPAC name of oxolan-3-yl 2-(propylamino)acetate (CID 63556873) is oxolan-3-yl 2-(propylamino)acetate.
What is the SMILES notation for oxolan-3-yl 2-(propylamino)acetate?
The canonical SMILES for oxolan-3-yl 2-(propylamino)acetate is CCCNCC(=O)OC1CCOC1.
What is the InChIKey of oxolan-3-yl 2-(propylamino)acetate?
The InChIKey is WOZNKSGNWCCMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-2-4-10-6-9(11)13-8-3-5-12-7-8/h8,10H,2-7H2,1H3.
What are the key properties of oxolan-3-yl 2-(propylamino)acetate?
oxolan-3-yl 2-(propylamino)acetate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yl 2-(propylamino)acetate is sourced from PubChem (CID 63556873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).