2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid

C13H22N2O5 — CID 46993756

IUPAC2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)CCN1CCCCO1
InChIInChI=1S/C13H22N2O5/c16-12(3-5-14-4-1-2-7-20-14)15-6-8-19-10-11(15)9-13(17)18/h11H,1-10H2,(H,17,18)
InChIKeyUCPHDTAMVGIQEN-UHFFFAOYSA-N
MW286.33 g/mol
LogP0.11
Rot. Bonds5

About 2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid

2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid (PubChem CID 46993756) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid
PubChem CID46993756
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid
SMILESO=C(O)CC1COCCN1C(=O)CCN1CCCCO1
InChIInChI=1S/C13H22N2O5/c16-12(3-5-14-4-1-2-7-20-14)15-6-8-19-10-11(15)9-13(17)18/h11H,1-10H2,(H,17,18)
InChIKeyUCPHDTAMVGIQEN-UHFFFAOYSA-N
XLogP0.11
TPSA79.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-4-[3-(oxan-4-yl)propanoyl]morpholin-3-yl]acetic acid
CID 129470037
2-[(3R)-4-[4-(1,2,4-triazol-1-yl)butanoyl]morpholin-3-yl]acetic acid
CID 95721739
5-(3-ethylmorpholin-4-yl)-5-oxopentanoic acid
CID 43611838
2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859
2-[(3R)-4-(3,3-diphenylpropanoyl)morpholin-3-yl]acetic acid
CID 129469743
2-[(3S)-4-(3-pyridin-3-ylpropanoyl)morpholin-3-yl]acetic acid
CID 99625562
2-[4-[1-(aminomethyl)cyclobutanecarbonyl]morpholin-3-yl]acetic acid
CID 113311756
2-[(3S)-4-[2-(tetrazol-1-yl)acetyl]morpholin-3-yl]acetic acid
CID 95714732
2-[(3R)-4-[2-(4-oxo-1,3-thiazolidin-3-yl)acetyl]morpholin-3-yl]acetic acid
CID 129381156
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261
2-[4-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonyl)morpholin-3-yl]acetic acid
CID 102893391
2-[4-(3,3-dimethylbutan-2-ylcarbamoyl)morpholin-3-yl]acetic acid
CID 113457970

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid (CID 46993756) is 2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid is O=C(O)CC1COCCN1C(=O)CCN1CCCCO1.
What is the InChIKey of 2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid?
The InChIKey is UCPHDTAMVGIQEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c16-12(3-5-14-4-1-2-7-20-14)15-6-8-19-10-11(15)9-13(17)18/h11H,1-10H2,(H,17,18).
What are the key properties of 2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid?
2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of 0.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(oxazinan-2-yl)propanoyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 46993756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).