[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate

C24H40N2O5 — CID 178032551

IUPAC[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate
SMILESCC1CC2CC(C2(C)C)C1(C)C(=O)OC1CCCN1C(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H40N2O5/c1-14-12-16-13-17(23(16,6)7)24(14,8)20(28)30-18-10-9-11-26(18)19(27)15(2)25-21(29)31-22(3,4)5/h14-18H,9-13H2,1-8H3,(H,25,29)/t14?,15-,16?,17?,18?,24?/m1/s1
InChIKeyJVSVEFXRHKWJGE-LKAJQCPHSA-N
MW436.59 g/mol
LogP4.10
Rot. Bonds4

About [1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate

[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate (PubChem CID 178032551) has the molecular formula C24H40N2O5 and a molecular weight of 436.59 g/mol. Its IUPAC name is [1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate.

Molecular Properties

Compound Name[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate
PubChem CID178032551
Molecular FormulaC24H40N2O5
Molecular Weight436.59 g/mol
Exact Mass436.29
IUPAC Name[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate
SMILESCC1CC2CC(C2(C)C)C1(C)C(=O)OC1CCCN1C(=O)[C@@H](C)NC(=O)OC(C)(C)C
InChIInChI=1S/C24H40N2O5/c1-14-12-16-13-17(23(16,6)7)24(14,8)20(28)30-18-10-9-11-26(18)19(27)15(2)25-21(29)31-22(3,4)5/h14-18H,9-13H2,1-8H3,(H,25,29)/t14?,15-,16?,17?,18?,24?/m1/s1
InChIKeyJVSVEFXRHKWJGE-LKAJQCPHSA-N
XLogP4.10
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.59
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate with MolForge

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Related Compounds

tert-butyl N-[1-oxo-1-[2-(2-oxoethyl)pyrrolidin-1-yl]propan-2-yl]carbamate
CID 164676087
methyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 18928254
methyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate
CID 139066167
tert-butyl N-[(2R)-1-[(2S,4R)-2-methyl-4-(trifluoromethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 178127720
methyl N-[(2S)-1-[(2R)-2-methylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 145019420
tert-butyl N-[(2R)-1-(3,3-difluoro-2-methylazetidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 178127071
tert-butyl N-[(2R)-1-[(2R,4R)-2-methyl-4-(trifluoromethoxy)pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 178127817
3-[1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl]-4-oxo-2,2-diphenylpentanoic acid
CID 175263182
S-ethyl (2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbothioate
CID 12968644
tert-butyl N-[(2R)-1-(3-fluoropyrrolidin-1-yl)-1-oxopropan-2-yl]carbamate
CID 71279861
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
tert-butyl (2R)-1-(2-acetamidopropanoyl)pyrrolidine-2-carboxylate
CID 81002762

Frequently Asked Questions

What is the IUPAC name of [1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate?
The IUPAC name of [1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate (CID 178032551) is [1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate.
What is the SMILES notation for [1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate?
The canonical SMILES for [1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate is CC1CC2CC(C2(C)C)C1(C)C(=O)OC1CCCN1C(=O)[C@@H](C)NC(=O)OC(C)(C)C.
What is the InChIKey of [1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate?
The InChIKey is JVSVEFXRHKWJGE-LKAJQCPHSA-N. The full InChI is InChI=1S/C24H40N2O5/c1-14-12-16-13-17(23(16,6)7)24(14,8)20(28)30-18-10-9-11-26(18)19(27)15(2)25-21(29)31-22(3,4)5/h14-18H,9-13H2,1-8H3,(H,25,29)/t14?,15-,16?,17?,18?,24?/m1/s1.
What are the key properties of [1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate?
[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate has a molecular weight of 436.59 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidin-2-yl] 2,3,6,6-tetramethylbicyclo[3.1.1]heptane-2-carboxylate is sourced from PubChem (CID 178032551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).