3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid

C9H17NO4 — CID 83819579

IUPAC3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid
SMILESCN1CCOCC1COCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-10-3-5-14-7-8(10)6-13-4-2-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyNRQDEKQMNIOFOM-UHFFFAOYSA-N
MW203.24 g/mol
LogP-0.19
Rot. Bonds5

About 3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid

3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid (PubChem CID 83819579) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid.

Molecular Properties

Compound Name3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid
PubChem CID83819579
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Name3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid
SMILESCN1CCOCC1COCCC(=O)O
InChIInChI=1S/C9H17NO4/c1-10-3-5-14-7-8(10)6-13-4-2-9(11)12/h8H,2-7H2,1H3,(H,11,12)
InChIKeyNRQDEKQMNIOFOM-UHFFFAOYSA-N
XLogP-0.19
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[[(2S)-1-methylpiperidin-2-yl]methoxy]propanoic acid
CID 170367402
3-[(4-propan-2-yl-1,4-oxazepan-6-yl)methoxy]propanoic acid
CID 162750206
3-[4-(2-methoxyethyl)morpholin-3-yl]propanoic acid
CID 117009385
[(3R)-4-methylmorpholin-3-yl]methyl (2S)-2-aminobutanoate
CID 118119859
1-[2-[methyl-[2-[(4-methylmorpholin-3-yl)methoxy]ethyl]amino]ethoxy]butan-2-ol
CID 126627764
[(3S)-4-methylmorpholin-3-yl]methanol
CID 58666450
3-[[(2S,3S)-1,3-dimethylpyrrolidin-2-yl]methoxy]propanoic acid
CID 170367841
(3S)-3-ethyl-4-methylmorpholine
CID 130351596
N-[(4-methylmorpholin-3-yl)methyl]acetamide
CID 10035059
2-[(3S)-4-methylmorpholin-3-yl]ethanol
CID 155290392
2-(4-methylmorpholin-3-yl)ethanol
CID 69499703
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid?
The IUPAC name of 3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid (CID 83819579) is 3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid.
What is the SMILES notation for 3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid?
The canonical SMILES for 3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid is CN1CCOCC1COCCC(=O)O.
What is the InChIKey of 3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid?
The InChIKey is NRQDEKQMNIOFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO4/c1-10-3-5-14-7-8(10)6-13-4-2-9(11)12/h8H,2-7H2,1H3,(H,11,12).
What are the key properties of 3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid?
3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid has a molecular weight of 203.24 g/mol, XLogP of -0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylmorpholin-3-yl)methoxy]propanoic acid is sourced from PubChem (CID 83819579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).