propyl 2-morpholin-4-yl-2-oxoacetate

C9H15NO4 — CID 6422270

IUPACpropyl 2-morpholin-4-yl-2-oxoacetate
SMILESCCCOC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C9H15NO4/c1-2-5-14-9(12)8(11)10-3-6-13-7-4-10/h2-7H2,1H3
InChIKeyRQQDTMGPFVBCCD-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.20
Rot. Bonds2

About propyl 2-morpholin-4-yl-2-oxoacetate

propyl 2-morpholin-4-yl-2-oxoacetate (PubChem CID 6422270) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is propyl 2-morpholin-4-yl-2-oxoacetate.

Molecular Properties

Compound Namepropyl 2-morpholin-4-yl-2-oxoacetate
PubChem CID6422270
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namepropyl 2-morpholin-4-yl-2-oxoacetate
SMILESCCCOC(=O)C(=O)N1CCOCC1
InChIInChI=1S/C9H15NO4/c1-2-5-14-9(12)8(11)10-3-6-13-7-4-10/h2-7H2,1H3
InChIKeyRQQDTMGPFVBCCD-UHFFFAOYSA-N
XLogP-0.20
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propyl 2-morpholin-4-yl-2-oxoacetate?
The IUPAC name of propyl 2-morpholin-4-yl-2-oxoacetate (CID 6422270) is propyl 2-morpholin-4-yl-2-oxoacetate.
What is the SMILES notation for propyl 2-morpholin-4-yl-2-oxoacetate?
The canonical SMILES for propyl 2-morpholin-4-yl-2-oxoacetate is CCCOC(=O)C(=O)N1CCOCC1.
What is the InChIKey of propyl 2-morpholin-4-yl-2-oxoacetate?
The InChIKey is RQQDTMGPFVBCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-2-5-14-9(12)8(11)10-3-6-13-7-4-10/h2-7H2,1H3.
What are the key properties of propyl 2-morpholin-4-yl-2-oxoacetate?
propyl 2-morpholin-4-yl-2-oxoacetate has a molecular weight of 201.22 g/mol, XLogP of -0.20, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-morpholin-4-yl-2-oxoacetate is sourced from PubChem (CID 6422270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).