2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid

C13H23NO4 — CID 116522763

IUPAC2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid
SMILESCC1(C)CCC(CN2CCOCC2CC(=O)O)O1
InChIInChI=1S/C13H23NO4/c1-13(2)4-3-11(18-13)8-14-5-6-17-9-10(14)7-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyQJBMBXMUYPNMJZ-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.12
Rot. Bonds4

About 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid

2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid (PubChem CID 116522763) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid
PubChem CID116522763
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Name2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid
SMILESCC1(C)CCC(CN2CCOCC2CC(=O)O)O1
InChIInChI=1S/C13H23NO4/c1-13(2)4-3-11(18-13)8-14-5-6-17-9-10(14)7-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16)
InChIKeyQJBMBXMUYPNMJZ-UHFFFAOYSA-N
XLogP1.12
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 116522178
4-[(5,5-dimethyloxolan-2-yl)methyl]morpholine
CID 130167785
1-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]propan-2-ol
CID 116525659
2-(4-pent-3-ynylmorpholin-3-yl)acetic acid
CID 104808814
1-[(5,5-dimethyloxolan-2-yl)methyl]-4-ethylpiperidine-4-carboxylic acid
CID 116522721
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-4-yl]oxyacetic acid
CID 116522730
2-[4-(2,4,4-trimethylcyclohexyl)morpholin-3-yl]acetic acid
CID 81313958
2-[(3R)-4-[(1S)-2,2-dimethylcyclopropanecarbonyl]morpholin-3-yl]acetic acid
CID 129414261
3-[4-(oxolan-2-ylmethyl)morpholin-3-yl]propanoic acid
CID 117009387
N-[[1-[(5,5-dimethyloxolan-2-yl)methyl]piperidin-2-yl]methyl]ethanamine
CID 116522147
2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]acetic acid
CID 74243764
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methyl]morpholin-3-yl]acetic acid
CID 56904309

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid?
The IUPAC name of 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid (CID 116522763) is 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid?
The canonical SMILES for 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid is CC1(C)CCC(CN2CCOCC2CC(=O)O)O1.
What is the InChIKey of 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid?
The InChIKey is QJBMBXMUYPNMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-13(2)4-3-11(18-13)8-14-5-6-17-9-10(14)7-12(15)16/h10-11H,3-9H2,1-2H3,(H,15,16).
What are the key properties of 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid?
2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid has a molecular weight of 257.33 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5,5-dimethyloxolan-2-yl)methyl]morpholin-3-yl]acetic acid is sourced from PubChem (CID 116522763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).