methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate

C11H19NO5 — CID 113451830

IUPACmethyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)CCC(C)O
InChIInChI=1S/C11H19NO5/c1-8(13)3-4-10(14)12-5-6-17-7-9(12)11(15)16-2/h8-9,13H,3-7H2,1-2H3
InChIKeyJIWFOVSERQJIKW-UHFFFAOYSA-N
MW245.27 g/mol
LogP-0.45
Rot. Bonds4

About methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate

methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate (PubChem CID 113451830) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
PubChem CID113451830
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Namemethyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate
SMILESCOC(=O)C1COCCN1C(=O)CCC(C)O
InChIInChI=1S/C11H19NO5/c1-8(13)3-4-10(14)12-5-6-17-7-9(12)11(15)16-2/h8-9,13H,3-7H2,1-2H3
InChIKeyJIWFOVSERQJIKW-UHFFFAOYSA-N
XLogP-0.45
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate?
The IUPAC name of methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate (CID 113451830) is methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate.
What is the SMILES notation for methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate?
The canonical SMILES for methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate is COC(=O)C1COCCN1C(=O)CCC(C)O.
What is the InChIKey of methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate?
The InChIKey is JIWFOVSERQJIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO5/c1-8(13)3-4-10(14)12-5-6-17-7-9(12)11(15)16-2/h8-9,13H,3-7H2,1-2H3.
What are the key properties of methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate?
methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate has a molecular weight of 245.27 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(4-hydroxypentanoyl)morpholine-3-carboxylate is sourced from PubChem (CID 113451830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).