3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid

C13H25NO4 — CID 103019288

IUPAC3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid
SMILESCOC(C)(C)C(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-12(2,3)8-9(7-10(15)16)14-11(17)13(4,5)18-6/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16)
InChIKeyQNULIHNLVZDTBN-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.81
Rot. Bonds6

About 3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid

3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid (PubChem CID 103019288) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid.

Molecular Properties

Compound Name3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid
PubChem CID103019288
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid
SMILESCOC(C)(C)C(=O)NC(CC(=O)O)CC(C)(C)C
InChIInChI=1S/C13H25NO4/c1-12(2,3)8-9(7-10(15)16)14-11(17)13(4,5)18-6/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16)
InChIKeyQNULIHNLVZDTBN-UHFFFAOYSA-N
XLogP1.81
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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 3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid?
The IUPAC name of 3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid (CID 103019288) is 3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid.
What is the SMILES notation for 3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid?
The canonical SMILES for 3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid is COC(C)(C)C(=O)NC(CC(=O)O)CC(C)(C)C.
What is the InChIKey of 3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid?
The InChIKey is QNULIHNLVZDTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c1-12(2,3)8-9(7-10(15)16)14-11(17)13(4,5)18-6/h9H,7-8H2,1-6H3,(H,14,17)(H,15,16).
What are the key properties of 3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid?
3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid has a molecular weight of 259.35 g/mol, XLogP of 1.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxy-2-methylpropanoyl)amino]-5,5-dimethylhexanoic acid is sourced from PubChem (CID 103019288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).