2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid

C13H21NO5 — CID 103978998

IUPAC2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
SMILESCC1COC(CO)CN1C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H21NO5/c1-8-7-19-9(6-15)5-14(8)12(16)10-3-2-4-11(10)13(17)18/h8-11,15H,2-7H2,1H3,(H,17,18)
InChIKeySZMZIJPWSMXMQF-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.10
Rot. Bonds3

About 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid

2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid (PubChem CID 103978998) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
PubChem CID103978998
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Name2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid
SMILESCC1COC(CO)CN1C(=O)C1CCCC1C(=O)O
InChIInChI=1S/C13H21NO5/c1-8-7-19-9(6-15)5-14(8)12(16)10-3-2-4-11(10)13(17)18/h8-11,15H,2-7H2,1H3,(H,17,18)
InChIKeySZMZIJPWSMXMQF-UHFFFAOYSA-N
XLogP0.10
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-oxoacetic acid
CID 81208191
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 81208731
1-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]-2-methylpyrrolidine-3-carboxylic acid
CID 81204286
2-bicyclo[2.2.1]heptanyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208049
(2-amino-6-methylcyclohexyl)-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81213770
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-2-methyl-3-oxopropanoic acid
CID 114898820
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(2R)-pyrrolidin-2-yl]methanone
CID 104901299
3-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-oxopropanoic acid
CID 81212677
cyclopent-3-en-1-yl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81208351
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-[(3S)-piperidin-3-yl]methanone
CID 81203650
[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-piperidin-1-ylmethanone
CID 81218847
2-adamantyl-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methanone
CID 81196297

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid (CID 103978998) is 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid is CC1COC(CO)CN1C(=O)C1CCCC1C(=O)O.
What is the InChIKey of 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid?
The InChIKey is SZMZIJPWSMXMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-8-7-19-9(6-15)5-14(8)12(16)10-3-2-4-11(10)13(17)18/h8-11,15H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid?
2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid has a molecular weight of 271.31 g/mol, XLogP of 0.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-5-methylmorpholine-4-carbonyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103978998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).