[(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate

C27H40FN3O3 — CID 23648385

IUPAC[(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate
SMILESC[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C27H40FN3O3/c1-19(17-31-18-27(2,3)22-16-21(28)11-12-23(22)31)29-26(33)34-24(15-20-9-5-4-6-10-20)25(32)30-13-7-8-14-30/h11-12,16,19-20,24H,4-10,13-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1
InChIKeyRICDSBLCNIHBIZ-CYFREDJKSA-N
MW473.63 g/mol
LogP5.00
Rot. Bonds7

About [(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate

[(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate (PubChem CID 23648385) has the molecular formula C27H40FN3O3 and a molecular weight of 473.63 g/mol. Its IUPAC name is [(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Name[(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate
PubChem CID23648385
Molecular FormulaC27H40FN3O3
Molecular Weight473.63 g/mol
Exact Mass473.31
IUPAC Name[(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate
SMILESC[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCCC1
InChIInChI=1S/C27H40FN3O3/c1-19(17-31-18-27(2,3)22-16-21(28)11-12-23(22)31)29-26(33)34-24(15-20-9-5-4-6-10-20)25(32)30-13-7-8-14-30/h11-12,16,19-20,24H,4-10,13-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1
InChIKeyRICDSBLCNIHBIZ-CYFREDJKSA-N
XLogP5.00
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.63
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate?
The IUPAC name of [(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate (CID 23648385) is [(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate.
What is the SMILES notation for [(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate?
The canonical SMILES for [(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate is C[C@@H](CN1CC(C)(C)c2cc(F)ccc21)NC(=O)O[C@@H](CC1CCCCC1)C(=O)N1CCCC1.
What is the InChIKey of [(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate?
The InChIKey is RICDSBLCNIHBIZ-CYFREDJKSA-N. The full InChI is InChI=1S/C27H40FN3O3/c1-19(17-31-18-27(2,3)22-16-21(28)11-12-23(22)31)29-26(33)34-24(15-20-9-5-4-6-10-20)25(32)30-13-7-8-14-30/h11-12,16,19-20,24H,4-10,13-15,17-18H2,1-3H3,(H,29,33)/t19-,24-/m0/s1.
What are the key properties of [(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate?
[(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate has a molecular weight of 473.63 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3-cyclohexyl-1-oxo-1-pyrrolidin-1-ylpropan-2-yl] N-[(2S)-1-(5-fluoro-3,3-dimethyl-2H-indol-1-yl)propan-2-yl]carbamate is sourced from PubChem (CID 23648385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).