6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid

C13H25NO4 — CID 103018826

IUPAC6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid
SMILESCOC(C)(C)C(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C13H25NO4/c1-12(2,7-6-10(15)16)8-9-14-11(17)13(3,4)18-5/h6-9H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyHGBCIFSYGSOQEP-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.81
Rot. Bonds8

About 6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid

6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid (PubChem CID 103018826) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid.

Molecular Properties

Compound Name6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid
PubChem CID103018826
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid
SMILESCOC(C)(C)C(=O)NCCC(C)(C)CCC(=O)O
InChIInChI=1S/C13H25NO4/c1-12(2,7-6-10(15)16)8-9-14-11(17)13(3,4)18-5/h6-9H2,1-5H3,(H,14,17)(H,15,16)
InChIKeyHGBCIFSYGSOQEP-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid?
The IUPAC name of 6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid (CID 103018826) is 6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid.
What is the SMILES notation for 6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid?
The canonical SMILES for 6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid is COC(C)(C)C(=O)NCCC(C)(C)CCC(=O)O.
What is the InChIKey of 6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid?
The InChIKey is HGBCIFSYGSOQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-12(2,7-6-10(15)16)8-9-14-11(17)13(3,4)18-5/h6-9H2,1-5H3,(H,14,17)(H,15,16).
What are the key properties of 6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid?
6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methoxy-2-methylpropanoyl)amino]-4,4-dimethylhexanoic acid is sourced from PubChem (CID 103018826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).