2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid

C11H17NO5 — CID 102932290

IUPAC2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
SMILESCC1CN(C(=O)C2CC2C(=O)O)CC(CO)O1
InChIInChI=1S/C11H17NO5/c1-6-3-12(4-7(5-13)17-6)10(14)8-2-9(8)11(15)16/h6-9,13H,2-5H2,1H3,(H,15,16)
InChIKeyQCTOCPJXFCUOOR-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.68
Rot. Bonds3

About 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid

2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid (PubChem CID 102932290) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
PubChem CID102932290
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
SMILESCC1CN(C(=O)C2CC2C(=O)O)CC(CO)O1
InChIInChI=1S/C11H17NO5/c1-6-3-12(4-7(5-13)17-6)10(14)8-2-9(8)11(15)16/h6-9,13H,2-5H2,1H3,(H,15,16)
InChIKeyQCTOCPJXFCUOOR-UHFFFAOYSA-N
XLogP-0.68
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(1S,2S)-2-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid
CID 124574972
6-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclohex-3-ene-1-carboxylic acid
CID 102932297
2-bicyclo[2.2.1]hept-5-enyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934347
2-adamantyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934585
6-bicyclo[3.1.0]hexanyl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934154
2-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 102933774
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667
2,2-difluoro-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]ethanone
CID 103514025
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]but-2-yn-1-one
CID 107989722
3-[[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 102933740
2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 102938985
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid (CID 102932290) is 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid is CC1CN(C(=O)C2CC2C(=O)O)CC(CO)O1.
What is the InChIKey of 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
The InChIKey is QCTOCPJXFCUOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-6-3-12(4-7(5-13)17-6)10(14)8-2-9(8)11(15)16/h6-9,13H,2-5H2,1H3,(H,15,16).
What are the key properties of 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid?
2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid has a molecular weight of 243.26 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-6-methylmorpholine-4-carbonyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 102932290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).