3-tert-Butoxycarbonylamino-5-methyl-hexanoic acid

• Catalog Number: ACMA00002214
• Category: Ethers
• Molecular Weight: 245.32
• Molecular Formula: C₁₂H₂₀ClNO
• Hazard Statements: H319
• RIDADR: NONH for all modes of transport
• Symbol: GHS07

Custom Q&A

What is the molecular formula of the compound?

The molecular formula of the compound is C12H23NO4.

What is the molecular weight of the compound?

The molecular weight of the compound is 245.32 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is 5-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid.

What is the InChI of the compound?

The InChI of the compound is InChI=1S/C12H23NO4/c1-8(2)6-9(7-10(14)15)13-11(16)17-12(3,4)5/h8-9H,6-7H2,1-5H3,(H,13,16)(H,14,15).

What is the InChIKey of the compound?

The InChIKey of the compound is XRVAMBSTOWHUMM-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC(C)CC(CC(=O)O)NC(=O)OC(C)(C)C.

What is the CAS number of the compound?

The CAS number of the compound is 138165-75-0.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 2.2.

How many hydrogen bond donor count does the compound have?

The compound has 2 hydrogen bond donor count.

How many rotatable bond count does the compound have?

The compound has 7 rotatable bond count.