7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid

C14H26N2O4 — CID 166818374

IUPAC7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid
SMILESCNC(C)(C)C(=O)C(CCCC(=O)O)NC(C)C(C)=O
InChIInChI=1S/C14H26N2O4/c1-9(10(2)17)16-11(7-6-8-12(18)19)13(20)14(3,4)15-5/h9,11,15-16H,6-8H2,1-5H3,(H,18,19)
InChIKeyHAYIZBHPWPLVDR-UHFFFAOYSA-N
MW286.37 g/mol
LogP0.74
Rot. Bonds10

About 7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid

7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid (PubChem CID 166818374) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is 7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid.

Molecular Properties

Compound Name7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid
PubChem CID166818374
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Name7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid
SMILESCNC(C)(C)C(=O)C(CCCC(=O)O)NC(C)C(C)=O
InChIInChI=1S/C14H26N2O4/c1-9(10(2)17)16-11(7-6-8-12(18)19)13(20)14(3,4)15-5/h9,11,15-16H,6-8H2,1-5H3,(H,18,19)
InChIKeyHAYIZBHPWPLVDR-UHFFFAOYSA-N
XLogP0.74
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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acetic acid;5,7,7-trimethyloctanoic acid
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4-[[2-methyl-2-(methylamino)propanoyl]amino]butanoic acid
CID 62846365
9-hydroxy-5,9-dimethyldecanoic acid
CID 170558406
5-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]hexanoic acid
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5-(2,2-dimethylpropylsulfonylamino)hexanoic acid
CID 82854198
hexanedioic acid;1-(1-hydroxyethylamino)ethanol
CID 87300417
5-methylhexanoic acid;4-methylpentan-1-ol
CID 87646285
2-methylhenicosanedioic acid
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(5S,6S,7R,10S)-6,10-dihydroxy-12-methoxy-5,7,9,9-tetramethyl-8,12-dioxododecanoic acid
CID 11824170

Frequently Asked Questions

What is the IUPAC name of 7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid?
The IUPAC name of 7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid (CID 166818374) is 7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid.
What is the SMILES notation for 7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid?
The canonical SMILES for 7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid is CNC(C)(C)C(=O)C(CCCC(=O)O)NC(C)C(C)=O.
What is the InChIKey of 7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid?
The InChIKey is HAYIZBHPWPLVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-9(10(2)17)16-11(7-6-8-12(18)19)13(20)14(3,4)15-5/h9,11,15-16H,6-8H2,1-5H3,(H,18,19).
What are the key properties of 7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid?
7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid has a molecular weight of 286.37 g/mol, XLogP of 0.74, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-7-(methylamino)-6-oxo-5-(3-oxobutan-2-ylamino)octanoic acid is sourced from PubChem (CID 166818374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).