3-(3,5-dimethylmorpholin-4-yl)propanoic acid

C9H17NO3 — CID 130723186

IUPAC3-(3,5-dimethylmorpholin-4-yl)propanoic acid
SMILESCC1COCC(C)N1CCC(=O)O
InChIInChI=1S/C9H17NO3/c1-7-5-13-6-8(2)10(7)4-3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyXXJQVLPQODYTEN-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.57
Rot. Bonds3

About 3-(3,5-dimethylmorpholin-4-yl)propanoic acid

3-(3,5-dimethylmorpholin-4-yl)propanoic acid (PubChem CID 130723186) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is 3-(3,5-dimethylmorpholin-4-yl)propanoic acid.

Molecular Properties

Compound Name3-(3,5-dimethylmorpholin-4-yl)propanoic acid
PubChem CID130723186
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name3-(3,5-dimethylmorpholin-4-yl)propanoic acid
SMILESCC1COCC(C)N1CCC(=O)O
InChIInChI=1S/C9H17NO3/c1-7-5-13-6-8(2)10(7)4-3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12)
InChIKeyXXJQVLPQODYTEN-UHFFFAOYSA-N
XLogP0.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methylmorpholin-4-yl)propanoic acid
CID 43542324
(3S,5S)-4-(2-chloroethyl)-3,5-dimethylmorpholine;hydrochloride
CID 69418164
5-(3,5-dimethylmorpholin-4-yl)pentan-1-ol
CID 111452494
5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]pentanoic acid
CID 28972400
butanedioic acid;2-methyloxirane
CID 87390185
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
2-(3,5-dimethylmorpholin-4-yl)acetohydrazide
CID 86703014
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propanoic acid
CID 7258532
1-[(3R,5S)-3,5-dimethylmorpholin-4-yl]propan-1-one
CID 118219644
3-[(3-methylmorpholine-4-carbonyl)amino]propanoic acid
CID 61209883
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]propanamide
CID 92917685
butanoic acid;2-methyloxirane
CID 159918705

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylmorpholin-4-yl)propanoic acid?
The IUPAC name of 3-(3,5-dimethylmorpholin-4-yl)propanoic acid (CID 130723186) is 3-(3,5-dimethylmorpholin-4-yl)propanoic acid.
What is the SMILES notation for 3-(3,5-dimethylmorpholin-4-yl)propanoic acid?
The canonical SMILES for 3-(3,5-dimethylmorpholin-4-yl)propanoic acid is CC1COCC(C)N1CCC(=O)O.
What is the InChIKey of 3-(3,5-dimethylmorpholin-4-yl)propanoic acid?
The InChIKey is XXJQVLPQODYTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-7-5-13-6-8(2)10(7)4-3-9(11)12/h7-8H,3-6H2,1-2H3,(H,11,12).
What are the key properties of 3-(3,5-dimethylmorpholin-4-yl)propanoic acid?
3-(3,5-dimethylmorpholin-4-yl)propanoic acid has a molecular weight of 187.24 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylmorpholin-4-yl)propanoic acid is sourced from PubChem (CID 130723186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).