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

C12H23NO4 — CID 103018746

IUPAC6-[(2-methoxy-2-methylpropanoyl)amino]-4-methylhexanoic acid
SMILESCOC(C)(C)C(=O)NCCC(C)CCC(=O)O
InChIInChI=1S/C12H23NO4/c1-9(5-6-10(14)15)7-8-13-11(16)12(2,3)17-4/h9H,5-8H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyAHXYSMARXRNRDL-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.42
Rot. Bonds8

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

6-[(2-methoxy-2-methylpropanoyl)amino]-4-methylhexanoic acid (PubChem CID 103018746) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is 6-[(2-methoxy-2-methylpropanoyl)amino]-4-methylhexanoic acid.

Molecular Properties

Compound Name6-[(2-methoxy-2-methylpropanoyl)amino]-4-methylhexanoic acid
PubChem CID103018746
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name6-[(2-methoxy-2-methylpropanoyl)amino]-4-methylhexanoic acid
SMILESCOC(C)(C)C(=O)NCCC(C)CCC(=O)O
InChIInChI=1S/C12H23NO4/c1-9(5-6-10(14)15)7-8-13-11(16)12(2,3)17-4/h9H,5-8H2,1-4H3,(H,13,16)(H,14,15)
InChIKeyAHXYSMARXRNRDL-UHFFFAOYSA-N
XLogP1.42
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.42
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-methylhexanoic acid?
The IUPAC name of 6-[(2-methoxy-2-methylpropanoyl)amino]-4-methylhexanoic acid (CID 103018746) is 6-[(2-methoxy-2-methylpropanoyl)amino]-4-methylhexanoic acid.
What is the SMILES notation for 6-[(2-methoxy-2-methylpropanoyl)amino]-4-methylhexanoic acid?
The canonical SMILES for 6-[(2-methoxy-2-methylpropanoyl)amino]-4-methylhexanoic acid is COC(C)(C)C(=O)NCCC(C)CCC(=O)O.
What is the InChIKey of 6-[(2-methoxy-2-methylpropanoyl)amino]-4-methylhexanoic acid?
The InChIKey is AHXYSMARXRNRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-9(5-6-10(14)15)7-8-13-11(16)12(2,3)17-4/h9H,5-8H2,1-4H3,(H,13,16)(H,14,15).
What are the key properties of 6-[(2-methoxy-2-methylpropanoyl)amino]-4-methylhexanoic acid?
6-[(2-methoxy-2-methylpropanoyl)amino]-4-methylhexanoic acid has a molecular weight of 245.32 g/mol, XLogP of 1.42, 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-methylhexanoic acid is sourced from PubChem (CID 103018746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).