methyl 2-acetamido-3-morpholin-4-ylpropanoate

C10H18N2O4 — CID 10900436

IUPACmethyl 2-acetamido-3-morpholin-4-ylpropanoate
SMILESCOC(=O)C(CN1CCOCC1)NC(C)=O
InChIInChI=1S/C10H18N2O4/c1-8(13)11-9(10(14)15-2)7-12-3-5-16-6-4-12/h9H,3-7H2,1-2H3,(H,11,13)
InChIKeyRWLMGFGSWMRPPL-UHFFFAOYSA-N
MW230.26 g/mol
LogP-1.00
Rot. Bonds4

About methyl 2-acetamido-3-morpholin-4-ylpropanoate

methyl 2-acetamido-3-morpholin-4-ylpropanoate (PubChem CID 10900436) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is methyl 2-acetamido-3-morpholin-4-ylpropanoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-morpholin-4-ylpropanoate
PubChem CID10900436
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Namemethyl 2-acetamido-3-morpholin-4-ylpropanoate
SMILESCOC(=O)C(CN1CCOCC1)NC(C)=O
InChIInChI=1S/C10H18N2O4/c1-8(13)11-9(10(14)15-2)7-12-3-5-16-6-4-12/h9H,3-7H2,1-2H3,(H,11,13)
InChIKeyRWLMGFGSWMRPPL-UHFFFAOYSA-N
XLogP-1.00
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-1.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-acetamido-3-morpholin-4-ylpropanoate?
The IUPAC name of methyl 2-acetamido-3-morpholin-4-ylpropanoate (CID 10900436) is methyl 2-acetamido-3-morpholin-4-ylpropanoate.
What is the SMILES notation for methyl 2-acetamido-3-morpholin-4-ylpropanoate?
The canonical SMILES for methyl 2-acetamido-3-morpholin-4-ylpropanoate is COC(=O)C(CN1CCOCC1)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-morpholin-4-ylpropanoate?
The InChIKey is RWLMGFGSWMRPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-8(13)11-9(10(14)15-2)7-12-3-5-16-6-4-12/h9H,3-7H2,1-2H3,(H,11,13).
What are the key properties of methyl 2-acetamido-3-morpholin-4-ylpropanoate?
methyl 2-acetamido-3-morpholin-4-ylpropanoate has a molecular weight of 230.26 g/mol, XLogP of -1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-morpholin-4-ylpropanoate is sourced from PubChem (CID 10900436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).