(3aR,4R,6S,6aS)-4-(tert-butoxycarbonylaMino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylic acid

• CAS: 316173-28-1
• Catalog Number: ACM316173281
• Category: Main Products
• Molecular Weight: 340.41
• Molecular Formula: C17H28N2O5
• Appearance: White or off-white powder

Custom Q&A

What is the molecular formula of the keyword?

The molecular formula of the keyword is C17H28N2O5.

What is the molecular weight of the keyword?

The molecular weight of the keyword is 340.4 g/mol.

What is the IUPAC name of the keyword?

The IUPAC name of the keyword is "(3aR,4R,6S,6aS)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pentan-3-yl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,2]oxazole-6-carboxylic acid".

What is the InChIKey of the keyword?

The InChIKey of the keyword is "XVJTUDPXKCBNKX-FMCLSXCISA-N".

What is the canonical SMILES representation of the keyword?

The canonical SMILES representation of the keyword is "CCC(CC)C1=NOC2C1C(CC2C(=O)O)NC(=O)OC(C)(C)C".

How many hydrogen bond donor counts are there in the keyword?

There are 2 hydrogen bond donor counts in the keyword.

How many hydrogen bond acceptor counts are there in the keyword?

There are 6 hydrogen bond acceptor counts in the keyword.

How many rotatable bond counts are there in the keyword?

There are 7 rotatable bond counts in the keyword.

What is the topological polar surface area of the keyword?

The topological polar surface area of the keyword is 97.2Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized.