methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate

C10H19NO3 — CID 61433080

IUPACmethyl 3-(3,3-dimethylmorpholin-4-yl)propanoate
SMILESCOC(=O)CCN1CCOCC1(C)C
InChIInChI=1S/C10H19NO3/c1-10(2)8-14-7-6-11(10)5-4-9(12)13-3/h4-8H2,1-3H3
InChIKeyUSMZUXDCKJBRFV-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.66
Rot. Bonds3

About methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate

methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate (PubChem CID 61433080) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3,3-dimethylmorpholin-4-yl)propanoate
PubChem CID61433080
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 3-(3,3-dimethylmorpholin-4-yl)propanoate
SMILESCOC(=O)CCN1CCOCC1(C)C
InChIInChI=1S/C10H19NO3/c1-10(2)8-14-7-6-11(10)5-4-9(12)13-3/h4-8H2,1-3H3
InChIKeyUSMZUXDCKJBRFV-UHFFFAOYSA-N
XLogP0.66
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2,2-dimethylpiperazin-1-yl)propanoate;dihydrochloride
CID 174695891
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]acetamide
CID 119876464
1-cyclopropyl-3-[2-(3,3-dimethylmorpholin-4-yl)ethyl]urea
CID 167975261
3-(3,3-dimethylmorpholin-4-yl)propan-1-ol
CID 54352391
4-(3,3-dimethylmorpholin-4-yl)-2,2-dimethylbutanoic acid
CID 65247740
N-(3-aminopropyl)-3-(3,3-dimethylmorpholin-4-yl)-N-methylpropanamide
CID 61430198
1-(4-chlorophenyl)-3-(3,3-dimethylmorpholin-4-yl)propan-1-one
CID 62618005
4-(3,3-dimethylmorpholin-4-yl)-N-(2-methoxyethyl)butan-1-amine
CID 62562752
4-(4-bromobutyl)-3,3-dimethylmorpholine
CID 61430684
ethyl 4-(3,3-dimethylmorpholin-4-yl)-2-(methylamino)butanoate
CID 63053944
1-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119876411
2-amino-N-[2-(3,3-dimethylmorpholin-4-yl)ethyl]-2-methylpropanamide
CID 119876424

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate?
The IUPAC name of methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate (CID 61433080) is methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate.
What is the SMILES notation for methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate?
The canonical SMILES for methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate is COC(=O)CCN1CCOCC1(C)C.
What is the InChIKey of methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate?
The InChIKey is USMZUXDCKJBRFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2)8-14-7-6-11(10)5-4-9(12)13-3/h4-8H2,1-3H3.
What are the key properties of methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate?
methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate has a molecular weight of 201.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,3-dimethylmorpholin-4-yl)propanoate is sourced from PubChem (CID 61433080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).