1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H23NO4 — CID 43437057

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)CC2(C(=O)O)CCCC2)CC(C)O1
InChIInChI=1S/C14H23NO4/c1-10-8-15(9-11(2)19-10)12(16)7-14(13(17)18)5-3-4-6-14/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyZSRBJHJLTUZEKI-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.66
Rot. Bonds3

About 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 43437057) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID43437057
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)CC2(C(=O)O)CCCC2)CC(C)O1
InChIInChI=1S/C14H23NO4/c1-10-8-15(9-11(2)19-10)12(16)7-14(13(17)18)5-3-4-6-14/h10-11H,3-9H2,1-2H3,(H,17,18)
InChIKeyZSRBJHJLTUZEKI-UHFFFAOYSA-N
XLogP1.66
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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CID 22179883
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CID 22179946
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CID 22660163
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CID 33748224
CID 33748224

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 43437057) is 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is CC1CN(C(=O)CC2(C(=O)O)CCCC2)CC(C)O1.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is ZSRBJHJLTUZEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10-8-15(9-11(2)19-10)12(16)7-14(13(17)18)5-3-4-6-14/h10-11H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43437057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).