N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide

C22H35FN2O4 — CID 166881609

IUPACN-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide
SMILESC[C@H](CC1CCC1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C
InChIInChI=1S/C22H35FN2O4/c1-13(10-14-6-5-7-14)17(27)16-11-15(26)12-25(16)19(28)18(21(2,3)4)24-20(29)22(23)8-9-22/h13-16,18,26H,5-12H2,1-4H3,(H,24,29)/t13-,15-,16+,18-/m1/s1
InChIKeyRBFCZMMOQDDKGL-NYCLONFESA-N
MW410.53 g/mol
LogP2.38
Rot. Bonds7

About N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide

N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide (PubChem CID 166881609) has the molecular formula C22H35FN2O4 and a molecular weight of 410.53 g/mol. Its IUPAC name is N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide
PubChem CID166881609
Molecular FormulaC22H35FN2O4
Molecular Weight410.53 g/mol
Exact Mass410.26
IUPAC NameN-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide
SMILESC[C@H](CC1CCC1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C
InChIInChI=1S/C22H35FN2O4/c1-13(10-14-6-5-7-14)17(27)16-11-15(26)12-25(16)19(28)18(21(2,3)4)24-20(29)22(23)8-9-22/h13-16,18,26H,5-12H2,1-4H3,(H,24,29)/t13-,15-,16+,18-/m1/s1
InChIKeyRBFCZMMOQDDKGL-NYCLONFESA-N
XLogP2.38
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.53
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide (CID 166881609) is N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide is C[C@H](CC1CCC1)C(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H](NC(=O)C1(F)CC1)C(C)(C)C.
What is the InChIKey of N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide?
The InChIKey is RBFCZMMOQDDKGL-NYCLONFESA-N. The full InChI is InChI=1S/C22H35FN2O4/c1-13(10-14-6-5-7-14)17(27)16-11-15(26)12-25(16)19(28)18(21(2,3)4)24-20(29)22(23)8-9-22/h13-16,18,26H,5-12H2,1-4H3,(H,24,29)/t13-,15-,16+,18-/m1/s1.
What are the key properties of N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide?
N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide has a molecular weight of 410.53 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(2S,4R)-2-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxypyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 166881609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).