3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid

C14H23NO4 — CID 103550624

IUPAC3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)C2CCC(C(=O)O)C2)CC(C)(C)O1
InChIInChI=1S/C14H23NO4/c1-9-7-15(8-14(2,3)19-9)12(16)10-4-5-11(6-10)13(17)18/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyWLWNNVAZSLDDQW-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds2

About 3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid

3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid (PubChem CID 103550624) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid
PubChem CID103550624
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)C2CCC(C(=O)O)C2)CC(C)(C)O1
InChIInChI=1S/C14H23NO4/c1-9-7-15(8-14(2,3)19-9)12(16)10-4-5-11(6-10)13(17)18/h9-11H,4-8H2,1-3H3,(H,17,18)
InChIKeyWLWNNVAZSLDDQW-UHFFFAOYSA-N
XLogP1.51
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-amino-4-methylcyclohexyl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 62780960
cis-(1R,3S)-3-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106319617
3-(2,2-dimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid
CID 103550019
N,N-dimethyl-4-(2,2,6-trimethylmorpholine-4-carbonyl)piperidine-1-carboxamide
CID 48690060
[(1R,2R)-2-aminocyclopentyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 124778662
[(1S,2S)-2-aminocyclopentyl]-[(6R)-2,2,6-trimethylmorpholin-4-yl]methanone
CID 124510962
5-(2,2,6-trimethylmorpholine-4-carbonyl)piperidin-2-one
CID 48690281
cis-(1S,3R)-3-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 124552883
2-hydroxy-1-(2,2,6-trimethylmorpholin-4-yl)ethanone
CID 131155747
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]cyclohexane-1-carboxylic acid
CID 98555777
1-(2,2,6-trimethylmorpholine-4-carbonyl)cyclobutane-1-carboxylic acid
CID 62097167
(5-methylpiperazin-2-yl)-(2,2,6-trimethylmorpholin-4-yl)methanone
CID 55176687

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid (CID 103550624) is 3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid is CC1CN(C(=O)C2CCC(C(=O)O)C2)CC(C)(C)O1.
What is the InChIKey of 3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid?
The InChIKey is WLWNNVAZSLDDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-9-7-15(8-14(2,3)19-9)12(16)10-4-5-11(6-10)13(17)18/h9-11H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid?
3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,6-trimethylmorpholine-4-carbonyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 103550624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).