1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid

C15H25NO4 — CID 106773936

IUPAC1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESC[C@@H]1COCCN1C(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H25NO4/c1-12-11-20-9-8-16(12)13(17)10-15(14(18)19)6-4-2-3-5-7-15/h12H,2-11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyJYGBWDLKBRSUFN-GFCCVEGCSA-N
MW283.37 g/mol
LogP2.05
Rot. Bonds3

About 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid

1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid (PubChem CID 106773936) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid
PubChem CID106773936
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Name1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid
SMILESC[C@@H]1COCCN1C(=O)CC1(C(=O)O)CCCCCC1
InChIInChI=1S/C15H25NO4/c1-12-11-20-9-8-16(12)13(17)10-15(14(18)19)6-4-2-3-5-7-15/h12H,2-11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeyJYGBWDLKBRSUFN-GFCCVEGCSA-N
XLogP2.05
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 54882575
1-[(3-methylmorpholine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 61209789
4-[(3R)-3-methylmorpholin-4-yl]-4-oxobutanoic acid
CID 93111439
1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43437351
1-[2-(4-methylazepan-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 63622422
1-[[(3-ethylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115436758
2-(methylamino)-1-(3-methylmorpholin-4-yl)ethanone
CID 43542226
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 39036127
1-(3-methylmorpholin-4-yl)-3-sulfanylpropan-1-one
CID 107022927
[1-(aminomethyl)cyclopropyl]-(3-methylmorpholin-4-yl)methanone
CID 80588742
1-[2-(2-ethylmorpholin-4-yl)-2-oxoethyl]cycloheptane-1-carboxylic acid
CID 43562549
1-[2-(5-ethyl-2-methylmorpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43578291

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid (CID 106773936) is 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid is C[C@@H]1COCCN1C(=O)CC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid?
The InChIKey is JYGBWDLKBRSUFN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H25NO4/c1-12-11-20-9-8-16(12)13(17)10-15(14(18)19)6-4-2-3-5-7-15/h12H,2-11H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid?
1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid has a molecular weight of 283.37 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3R)-3-methylmorpholin-4-yl]-2-oxoethyl]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 106773936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).