4,6-dicarbamoyl-2-methyloctanoic acid

C11H20N2O4 — CID 89382059

IUPAC4,6-dicarbamoyl-2-methyloctanoic acid
SMILESCCC(CC(CC(C)C(=O)O)C(N)=O)C(N)=O
InChIInChI=1S/C11H20N2O4/c1-3-7(9(12)14)5-8(10(13)15)4-6(2)11(16)17/h6-8H,3-5H2,1-2H3,(H2,12,14)(H2,13,15)(H,16,17)
InChIKeyTZCOTCSWCAQKDF-UHFFFAOYSA-N
MW244.29 g/mol
LogP0.10
Rot. Bonds8

About 4,6-dicarbamoyl-2-methyloctanoic acid

4,6-dicarbamoyl-2-methyloctanoic acid (PubChem CID 89382059) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4,6-dicarbamoyl-2-methyloctanoic acid.

Molecular Properties

Compound Name4,6-dicarbamoyl-2-methyloctanoic acid
PubChem CID89382059
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name4,6-dicarbamoyl-2-methyloctanoic acid
SMILESCCC(CC(CC(C)C(=O)O)C(N)=O)C(N)=O
InChIInChI=1S/C11H20N2O4/c1-3-7(9(12)14)5-8(10(13)15)4-6(2)11(16)17/h6-8H,3-5H2,1-2H3,(H2,12,14)(H2,13,15)(H,16,17)
InChIKeyTZCOTCSWCAQKDF-UHFFFAOYSA-N
XLogP0.10
TPSA123.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-carbamoyl-2-methylhexanoic acid
CID 20783257
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxamide
CID 89449425
4-carbamoyl-6-carboxy-2-methyloctanoate
CID 176624097
5-amino-2-ethyl-4-methyl-5-oxopentanoic acid
CID 58612932
1-methylhenhectane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57,59,61,63,65,67,69,71,73,75,77,79,81,83,85,87,89,91,93,95,97,99-pentacontacarboxylic acid
CID 123247671
(2S,4R)-4-carbamoyl-2-propylhexanoic acid
CID 59815875
dodecane-2,4,6,8-tetracarboxamide
CID 89075509
4-(2-hydroxyethoxycarbonyl)-2-methylhexanoic acid
CID 176620602
4-(2-hydroxypropoxycarbonyl)-2-methylhexanoic acid
CID 91349360
(2R)-2,4-diethylhexanamide
CID 95562524
2-ethyl-4,6-dimethylheptanedioic acid
CID 156625927
2-methyl-4-(propan-2-ylcarbamoyl)hexanoic acid
CID 154824820

Frequently Asked Questions

What is the IUPAC name of 4,6-dicarbamoyl-2-methyloctanoic acid?
The IUPAC name of 4,6-dicarbamoyl-2-methyloctanoic acid (CID 89382059) is 4,6-dicarbamoyl-2-methyloctanoic acid.
What is the SMILES notation for 4,6-dicarbamoyl-2-methyloctanoic acid?
The canonical SMILES for 4,6-dicarbamoyl-2-methyloctanoic acid is CCC(CC(CC(C)C(=O)O)C(N)=O)C(N)=O.
What is the InChIKey of 4,6-dicarbamoyl-2-methyloctanoic acid?
The InChIKey is TZCOTCSWCAQKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-3-7(9(12)14)5-8(10(13)15)4-6(2)11(16)17/h6-8H,3-5H2,1-2H3,(H2,12,14)(H2,13,15)(H,16,17).
What are the key properties of 4,6-dicarbamoyl-2-methyloctanoic acid?
4,6-dicarbamoyl-2-methyloctanoic acid has a molecular weight of 244.29 g/mol, XLogP of 0.10, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dicarbamoyl-2-methyloctanoic acid is sourced from PubChem (CID 89382059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).