methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate

C11H19NO5 — CID 147780175

IUPACmethyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate
SMILESCOC(=O)CCNC1(C(=O)OC)CCOCC1
InChIInChI=1S/C11H19NO5/c1-15-9(13)3-6-12-11(10(14)16-2)4-7-17-8-5-11/h12H,3-8H2,1-2H3
InChIKeyHHQGVPJTNPZSOE-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.14
Rot. Bonds5

About methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate

methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate (PubChem CID 147780175) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate
PubChem CID147780175
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate
SMILESCOC(=O)CCNC1(C(=O)OC)CCOCC1
InChIInChI=1S/C11H19NO5/c1-15-9(13)3-6-12-11(10(14)16-2)4-7-17-8-5-11/h12H,3-8H2,1-2H3
InChIKeyHHQGVPJTNPZSOE-UHFFFAOYSA-N
XLogP-0.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate?
The IUPAC name of methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate (CID 147780175) is methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate.
What is the SMILES notation for methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate?
The canonical SMILES for methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate is COC(=O)CCNC1(C(=O)OC)CCOCC1.
What is the InChIKey of methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate?
The InChIKey is HHQGVPJTNPZSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-15-9(13)3-6-12-11(10(14)16-2)4-7-17-8-5-11/h12H,3-8H2,1-2H3.
What are the key properties of methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate?
methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate has a molecular weight of 245.27 g/mol, XLogP of -0.14, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-methoxy-3-oxopropyl)amino]oxane-4-carboxylate is sourced from PubChem (CID 147780175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).