5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid

C11H16N2O4 — CID 79674093

IUPAC5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCOC(C#N)C1
InChIInChI=1S/C11H16N2O4/c1-8(5-11(15)16)4-10(14)13-2-3-17-9(6-12)7-13/h8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyLSNHAXZZJMOKNE-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.24
Rot. Bonds4

About 5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid

5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid (PubChem CID 79674093) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid
PubChem CID79674093
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)N1CCOC(C#N)C1
InChIInChI=1S/C11H16N2O4/c1-8(5-11(15)16)4-10(14)13-2-3-17-9(6-12)7-13/h8-9H,2-5,7H2,1H3,(H,15,16)
InChIKeyLSNHAXZZJMOKNE-UHFFFAOYSA-N
XLogP0.24
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyano-N-propan-2-ylmorpholine-4-carboxamide
CID 78946088
4-[2-(tert-butylamino)acetyl]morpholine-2-carbonitrile
CID 78945675
3-methyl-5-(3-methylpyrrolidin-1-yl)-5-oxopentanoic acid
CID 62965956
4-(2-cyanopropanoyl)morpholine-2-carbonitrile
CID 78996355
3-[[(2-cyanomorpholine-4-carbonyl)amino]methyl]pentanoic acid
CID 81070191
4-[3-(methylamino)propanoyl]morpholine-2-carbonitrile
CID 79674939
propan-2-yl 2-cyanomorpholine-4-carboxylate
CID 79674867
(2S,3S)-2-[(2-cyanomorpholine-4-carbonyl)amino]-3-methylpentanoic acid
CID 79676734
4-[(2S)-2-amino-3-methylbutanoyl]morpholine-2-carbonitrile
CID 79681377
4-[(2-cyanomorpholine-4-carbonyl)amino]-2-methylbutanoic acid
CID 80541016
4-(3-cyclopentylpropanoyl)morpholine-2-carbonitrile
CID 78945630
5-(3,4-dimethylpyrrolidin-1-yl)-3-methyl-5-oxopentanoic acid
CID 79187870

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid (CID 79674093) is 5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)N1CCOC(C#N)C1.
What is the InChIKey of 5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid?
The InChIKey is LSNHAXZZJMOKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-8(5-11(15)16)4-10(14)13-2-3-17-9(6-12)7-13/h8-9H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid?
5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid has a molecular weight of 240.26 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyanomorpholin-4-yl)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 79674093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).