[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate

C22H22F3N3O3 — CID 71177505

About [(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate

[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate (PubChem CID 71177505) has the molecular formula C22H22F3N3O3 and a molecular weight of 433.43 g/mol. Its IUPAC name is [(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate.

Molecular Properties

• Compound Name: [(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate
• PubChem CID: 71177505
• Molecular Formula: C22H22F3N3O3
• Molecular Weight: 433.43 g/mol
• Exact Mass: 433.16
• IUPAC Name: [(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate
• SMILES: C[C@@H](OC(=O)Nc1ccc(-c2c(N)c3ccc(O)cc3n2CC2CC2)cc1)C(F)(F)F
• InChI: InChI=1S/C22H22F3N3O3/c1-12(22(23,24)25)31-21(30)27-15-6-4-14(5-7-15)20-19(26)17-9-8-16(29)10-18(17)28(20)11-13-2-3-13/h4-10,12-13,29H,2-3,11,26H2,1H3,(H,27,30)/t12-/m1/s1
• InChIKey: SRKZYZXQGBFKJV-GFCCVEGCSA-N
• XLogP: 5.51
• TPSA: 89.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.43
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate?

The IUPAC name of [(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate (CID 71177505) is [(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate.

What is the SMILES notation for [(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate?

The canonical SMILES for [(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate is C[C@@H](OC(=O)Nc1ccc(-c2c(N)c3ccc(O)cc3n2CC2CC2)cc1)C(F)(F)F.

What is the InChIKey of [(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate?

The InChIKey is SRKZYZXQGBFKJV-GFCCVEGCSA-N. The full InChI is InChI=1S/C22H22F3N3O3/c1-12(22(23,24)25)31-21(30)27-15-6-4-14(5-7-15)20-19(26)17-9-8-16(29)10-18(17)28(20)11-13-2-3-13/h4-10,12-13,29H,2-3,11,26H2,1H3,(H,27,30)/t12-/m1/s1.

What are the key properties of [(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate?

[(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate has a molecular weight of 433.43 g/mol, XLogP of 5.51, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1,1,1-trifluoropropan-2-yl] N-[4-[3-amino-1-(cyclopropylmethyl)-6-hydroxyindol-2-yl]phenyl]carbamate is sourced from PubChem (CID 71177505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).