methyl 3-morpholin-4-ylbutanoate

C9H17NO3 — CID 15095655

IUPACmethyl 3-morpholin-4-ylbutanoate
SMILESCOC(=O)CC(C)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-8(7-9(11)12-2)10-3-5-13-6-4-10/h8H,3-7H2,1-2H3
InChIKeyADWBNEMUIBKAJC-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.27
Rot. Bonds3

About methyl 3-morpholin-4-ylbutanoate

methyl 3-morpholin-4-ylbutanoate (PubChem CID 15095655) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 3-morpholin-4-ylbutanoate.

Molecular Properties

Compound Namemethyl 3-morpholin-4-ylbutanoate
PubChem CID15095655
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 3-morpholin-4-ylbutanoate
SMILESCOC(=O)CC(C)N1CCOCC1
InChIInChI=1S/C9H17NO3/c1-8(7-9(11)12-2)10-3-5-13-6-4-10/h8H,3-7H2,1-2H3
InChIKeyADWBNEMUIBKAJC-UHFFFAOYSA-N
XLogP0.27
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-morpholin-4-ylbutanoate?
The IUPAC name of methyl 3-morpholin-4-ylbutanoate (CID 15095655) is methyl 3-morpholin-4-ylbutanoate.
What is the SMILES notation for methyl 3-morpholin-4-ylbutanoate?
The canonical SMILES for methyl 3-morpholin-4-ylbutanoate is COC(=O)CC(C)N1CCOCC1.
What is the InChIKey of methyl 3-morpholin-4-ylbutanoate?
The InChIKey is ADWBNEMUIBKAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-8(7-9(11)12-2)10-3-5-13-6-4-10/h8H,3-7H2,1-2H3.
What are the key properties of methyl 3-morpholin-4-ylbutanoate?
methyl 3-morpholin-4-ylbutanoate has a molecular weight of 187.24 g/mol, XLogP of 0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-morpholin-4-ylbutanoate is sourced from PubChem (CID 15095655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).