6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid

C13H19N3O3 — CID 175916350

IUPAC6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid
SMILESCC(CCCC(=O)O)C(C#N)(C#N)N1CCOCC1
InChIInChI=1S/C13H19N3O3/c1-11(3-2-4-12(17)18)13(9-14,10-15)16-5-7-19-8-6-16/h11H,2-8H2,1H3,(H,17,18)
InChIKeyDBQLQRHSUSSGOF-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.00
Rot. Bonds6

About 6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid

6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid (PubChem CID 175916350) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid.

Molecular Properties

Compound Name6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid
PubChem CID175916350
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid
SMILESCC(CCCC(=O)O)C(C#N)(C#N)N1CCOCC1
InChIInChI=1S/C13H19N3O3/c1-11(3-2-4-12(17)18)13(9-14,10-15)16-5-7-19-8-6-16/h11H,2-8H2,1H3,(H,17,18)
InChIKeyDBQLQRHSUSSGOF-UHFFFAOYSA-N
XLogP1.00
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyano-3,5-dimethyl-5-morpholin-4-ylhexanoic acid
CID 155088137
(E)-6,6-dicyano-5-[4-(dimethylamino)phenyl]-6-morpholin-4-ylhex-2-enoic acid
CID 175191026
5,5-dihydroxypentanoic acid
CID 57194054
4-[(2-amino-3-morpholin-4-ylpropanoyl)amino]butanoic acid
CID 123232497
(4S)-4-amino-5-morpholin-4-ylpentanoic acid
CID 97055085
2,3-dimethylnonan-2-amine;hexanoic acid
CID 173175130
2,3-dimethylundecan-2-amine;pentanoic acid
CID 173175135
2-(6-morpholin-4-ylhexyl)-3-propan-2-ylbut-2-enedioic acid
CID 154077710
4-(1-morpholin-4-ylethylamino)-4-oxobutanoic acid
CID 20979566
2-morpholin-4-ylacetonitrile;propanoic acid
CID 173114217
7-(oxiran-2-yl)octanoic acid
CID 90805841
3-methyl-3-morpholin-4-ylpentanoic acid
CID 64527149

Frequently Asked Questions

What is the IUPAC name of 6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid?
The IUPAC name of 6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid (CID 175916350) is 6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid.
What is the SMILES notation for 6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid?
The canonical SMILES for 6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid is CC(CCCC(=O)O)C(C#N)(C#N)N1CCOCC1.
What is the InChIKey of 6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid?
The InChIKey is DBQLQRHSUSSGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-11(3-2-4-12(17)18)13(9-14,10-15)16-5-7-19-8-6-16/h11H,2-8H2,1H3,(H,17,18).
What are the key properties of 6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid?
6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dicyano-5-methyl-6-morpholin-4-ylhexanoic acid is sourced from PubChem (CID 175916350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).