2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid

C13H22N2O5 — CID 102961872

IUPAC2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
SMILESCC1CCN(C(=O)N2CCOCC2CC(=O)O)CC1O
InChIInChI=1S/C13H22N2O5/c1-9-2-3-14(7-11(9)16)13(19)15-4-5-20-8-10(15)6-12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyPMFZKJBGQWAXTO-UHFFFAOYSA-N
MW286.33 g/mol
LogP-0.02
Rot. Bonds2

About 2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid

2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid (PubChem CID 102961872) has the molecular formula C13H22N2O5 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
PubChem CID102961872
Molecular FormulaC13H22N2O5
Molecular Weight286.33 g/mol
Exact Mass286.15
IUPAC Name2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
SMILESCC1CCN(C(=O)N2CCOCC2CC(=O)O)CC1O
InChIInChI=1S/C13H22N2O5/c1-9-2-3-14(7-11(9)16)13(19)15-4-5-20-8-10(15)6-12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18)
InChIKeyPMFZKJBGQWAXTO-UHFFFAOYSA-N
XLogP-0.02
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[3-(methoxymethyl)piperidine-1-carbonyl]morpholin-3-yl]acetic acid
CID 106588033
2-[4-(5-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)morpholin-3-yl]acetic acid
CID 114172612
2-[1-(3-ethylmorpholine-4-carbonyl)azetidin-3-yl]acetic acid
CID 64617831
2-[1-(3-methylmorpholine-4-carbonyl)piperidin-3-yl]acetic acid
CID 62691356
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261
2-[4-[3-hydroxybutyl(methyl)carbamoyl]morpholin-3-yl]acetic acid
CID 113499766
2-[4-(2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl)morpholin-3-yl]acetic acid
CID 82753207
2-[4-(3-methoxy-3-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid
CID 107394034
2-[1-(3-carbamoylmorpholine-4-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83095359
2-[1-(morpholine-4-carbonyl)pyrrolidin-2-yl]acetic acid
CID 61370369
2-[4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-3-yl]acetic acid
CID 56905000
2-[4-[(2R)-oxolane-2-carbonyl]morpholin-3-yl]acetic acid
CID 104855859

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid (CID 102961872) is 2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid is CC1CCN(C(=O)N2CCOCC2CC(=O)O)CC1O.
What is the InChIKey of 2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid?
The InChIKey is PMFZKJBGQWAXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O5/c1-9-2-3-14(7-11(9)16)13(19)15-4-5-20-8-10(15)6-12(17)18/h9-11,16H,2-8H2,1H3,(H,17,18).
What are the key properties of 2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid?
2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid has a molecular weight of 286.33 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydroxy-4-methylpiperidine-1-carbonyl)morpholin-3-yl]acetic acid is sourced from PubChem (CID 102961872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).