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

C11H19NO4 — CID 66432953

IUPAC2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C2CCCOC2)CCO1
InChIInChI=1S/C11H19NO4/c13-11(14)6-10-7-12(3-5-16-10)9-2-1-4-15-8-9/h9-10H,1-8H2,(H,13,14)
InChIKeySSRNECFNJAGDME-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.34
Rot. Bonds3

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

2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid (PubChem CID 66432953) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid
PubChem CID66432953
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid
SMILESO=C(O)CC1CN(C2CCCOC2)CCO1
InChIInChI=1S/C11H19NO4/c13-11(14)6-10-7-12(3-5-16-10)9-2-1-4-15-8-9/h9-10H,1-8H2,(H,13,14)
InChIKeySSRNECFNJAGDME-UHFFFAOYSA-N
XLogP0.34
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-cyclohexylmorpholin-2-yl)acetic acid
CID 66433671
[4-(oxan-3-yl)morpholin-2-yl]methanol
CID 83831819
2-[(2S)-4-[(3S)-oxane-3-carbonyl]morpholin-2-yl]acetic acid
CID 124515362
methyl 2-(4-cyclopentylmorpholin-2-yl)acetate
CID 115537752
2-[4-(1-propylpiperidin-4-yl)morpholin-2-yl]acetic acid
CID 66434708
2-[(2S)-4-[2-[(2R)-oxolan-2-yl]acetyl]morpholin-2-yl]acetic acid
CID 124515284
2-[(2S)-4-[3-[(2S)-oxolan-2-yl]propanoyl]morpholin-2-yl]acetic acid
CID 124515387
2-[4-(2,2-dimethylcyclopentyl)morpholin-2-yl]acetic acid
CID 79862286
(4-cyclopentylmorpholin-2-yl)methanol
CID 45098591
2-[4-(2,4-dimethylcyclohexyl)morpholin-2-yl]acetic acid
CID 66435669
(4-cyclohexylmorpholin-2-yl)methanol
CID 83831638
2-[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethylcarbamoyl)azetidin-3-yl]acetic acid
CID 79082565

Frequently Asked Questions

What is the IUPAC name of 2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid (CID 66432953) is 2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid is O=C(O)CC1CN(C2CCCOC2)CCO1.
What is the InChIKey of 2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid?
The InChIKey is SSRNECFNJAGDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c13-11(14)6-10-7-12(3-5-16-10)9-2-1-4-15-8-9/h9-10H,1-8H2,(H,13,14).
What are the key properties of 2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid?
2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(oxan-3-yl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 66432953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).