3-(3-methylmorpholin-4-yl)propanoic acid

C8H15NO3 — CID 43542324

IUPAC3-(3-methylmorpholin-4-yl)propanoic acid
SMILESCC1COCCN1CCC(=O)O
InChIInChI=1S/C8H15NO3/c1-7-6-12-5-4-9(7)3-2-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyANMDYZOPNLCXRP-UHFFFAOYSA-N
MW173.21 g/mol
LogP0.18
Rot. Bonds3

About 3-(3-methylmorpholin-4-yl)propanoic acid

3-(3-methylmorpholin-4-yl)propanoic acid (PubChem CID 43542324) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-(3-methylmorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3-methylmorpholin-4-yl)propanoic acid
PubChem CID43542324
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name3-(3-methylmorpholin-4-yl)propanoic acid
SMILESCC1COCCN1CCC(=O)O
InChIInChI=1S/C8H15NO3/c1-7-6-12-5-4-9(7)3-2-8(10)11/h7H,2-6H2,1H3,(H,10,11)
InChIKeyANMDYZOPNLCXRP-UHFFFAOYSA-N
XLogP0.18
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylmorpholin-4-yl)ethanol
CID 43542486
2-[(3S)-3-methylmorpholin-4-yl]ethanol
CID 67078018
4-(3-methylmorpholin-4-yl)butan-1-ol
CID 43542485
5-(3-methylmorpholin-4-yl)pentan-1-ol
CID 62228408
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
1-(4-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 43793076
3-(3,5-dimethylmorpholin-4-yl)propanoic acid
CID 130723186
1-(2-fluorophenyl)-3-(3-methylmorpholin-4-yl)propan-1-one
CID 62619030
3-(3-methylmorpholin-4-yl)propan-1-amine
CID 43541798
methyl 2-amino-4-(3-methylmorpholin-4-yl)butanoate
CID 63029800
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61209883
N-(2-aminophenyl)-3-(3-methylmorpholin-4-yl)propanamide
CID 43541694

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylmorpholin-4-yl)propanoic acid?
The IUPAC name of 3-(3-methylmorpholin-4-yl)propanoic acid (CID 43542324) is 3-(3-methylmorpholin-4-yl)propanoic acid.
What is the SMILES notation for 3-(3-methylmorpholin-4-yl)propanoic acid?
The canonical SMILES for 3-(3-methylmorpholin-4-yl)propanoic acid is CC1COCCN1CCC(=O)O.
What is the InChIKey of 3-(3-methylmorpholin-4-yl)propanoic acid?
The InChIKey is ANMDYZOPNLCXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-7-6-12-5-4-9(7)3-2-8(10)11/h7H,2-6H2,1H3,(H,10,11).
What are the key properties of 3-(3-methylmorpholin-4-yl)propanoic acid?
3-(3-methylmorpholin-4-yl)propanoic acid has a molecular weight of 173.21 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylmorpholin-4-yl)propanoic acid is sourced from PubChem (CID 43542324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).