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

C16H27NO4 — CID 43437351

IUPAC1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC1CN(C(=O)CC2(C(=O)O)CCCCCC2)CC(C)O1
InChIInChI=1S/C16H27NO4/c1-12-10-17(11-13(2)21-12)14(18)9-16(15(19)20)7-5-3-4-6-8-16/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyQNMBGFBBRJKVAO-UHFFFAOYSA-N
MW297.39 g/mol
LogP2.44
Rot. Bonds3

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

1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 43437351) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID43437351
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESCC1CN(C(=O)CC2(C(=O)O)CCCCCC2)CC(C)O1
InChIInChI=1S/C16H27NO4/c1-12-10-17(11-13(2)21-12)14(18)9-16(15(19)20)7-5-3-4-6-8-16/h12-13H,3-11H2,1-2H3,(H,19,20)
InChIKeyQNMBGFBBRJKVAO-UHFFFAOYSA-N
XLogP2.44
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Morpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 2474331
4-(4-Cyclohexyl-4-ethoxycarbonylpiperidin-1-yl)-4-oxobutanoic acid
CID 172433382
(R)-4,4-Dimethyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-pentanoic acid
CID 15975488
2-[(4-Methylcyclohexyl)methyl]-4-morpholin-4-yl-4-oxobutanoic acid
CID 18768920
Methyl 2-(cyclohexylmethyl)-4-morpholin-4-yl-4-oxobutanoate
CID 20701083
2-(1-Methyl-cyclopentylmethyl)-4-morpholin-4-yl-4-oxo-butyric acid
CID 21025678
2-Cyclohexylmethyl-4-morpholin-4-yl-4-oxobutyric acid
CID 21899834
2-(2-Cyclohexylethyl)-4-morpholin-4-yl-4-oxobutanoic acid
CID 22053986
4,4-Dimethyl-2-(2-morpholin-4-yl-2-oxo-ethyl)-pentanoic acid
CID 22179883
2-(1-Cyclopentylethyl)-4-morpholin-4-yl-4-oxobutanoic acid
CID 22179916
4,4,6-Trimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoic acid
CID 22179946
methyl (2R)-5,5-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)heptanoate
CID 58479382

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 43437351) is 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid is CC1CN(C(=O)CC2(C(=O)O)CCCCCC2)CC(C)O1.
What is the InChIKey of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is QNMBGFBBRJKVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-12-10-17(11-13(2)21-12)14(18)9-16(15(19)20)7-5-3-4-6-8-16/h12-13H,3-11H2,1-2H3,(H,19,20).
What are the key properties of 1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 297.39 g/mol, XLogP of 2.44, 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]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 43437351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).