N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide

C22H36N2O2 — CID 170036292

IUPACN-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide
SMILESC[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)C1CC3(CCC3)C1)C(C)(C)C)C2(C)C
InChIInChI=1S/C22H36N2O2/c1-13-16-15(21(16,5)6)12-24(13)19(26)17(20(2,3)4)23-18(25)14-10-22(11-14)8-7-9-22/h13-17H,7-12H2,1-6H3,(H,23,25)/t13-,15+,16-,17-/m1/s1
InChIKeyVFPJECQWPFHQQH-XLNGHYISSA-N
MW360.54 g/mol
LogP3.60
Rot. Bonds3

About N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide

N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide (PubChem CID 170036292) has the molecular formula C22H36N2O2 and a molecular weight of 360.54 g/mol. Its IUPAC name is N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide
PubChem CID170036292
Molecular FormulaC22H36N2O2
Molecular Weight360.54 g/mol
Exact Mass360.28
IUPAC NameN-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide
SMILESC[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)C1CC3(CCC3)C1)C(C)(C)C)C2(C)C
InChIInChI=1S/C22H36N2O2/c1-13-16-15(21(16,5)6)12-24(13)19(26)17(20(2,3)4)23-18(25)14-10-22(11-14)8-7-9-22/h13-17H,7-12H2,1-6H3,(H,23,25)/t13-,15+,16-,17-/m1/s1
InChIKeyVFPJECQWPFHQQH-XLNGHYISSA-N
XLogP3.60
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]urea
CID 118201135
3-[(2S)-3,3-dimethyl-2-(methylcarbamoylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 175732322
(1R,2S,5S)-3-(2-acetamido-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 174232778
(2S)-3-[(2S)-3,3-dimethyl-2-(methylcarbamoylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 59789474
(1R,2S,5S)-3-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-6,6-dimethyl-N-[(2S)-3-methyl-1-oxobutan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170200793
3-[3,3-dimethyl-2-(2-methylpropanoylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 174185938
methyl (2S)-3-[(2S)-3,3-dimethyl-2-(methylcarbamoylamino)butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 58766711
N-[1-cyclohexyl-2-[[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]amino]-2-oxoethyl]pyrazine-2-carboxamide
CID 170035929
tert-butyl N-[1-[(1R,5S)-2-[(1-amino-4,4-dimethyl-1,2-dioxopentan-3-yl)carbamoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate
CID 23647805
3-[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 21016453
(1R,5S)-3-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-N-[(1S)-1-cyanoethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 170285018
(1R,2S,5S)-3-[(2S)-2-(3-hydroxypropanoylamino)-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 169193738

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide?
The IUPAC name of N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide (CID 170036292) is N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide.
What is the SMILES notation for N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide?
The canonical SMILES for N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide is C[C@@H]1[C@@H]2[C@H](CN1C(=O)[C@@H](NC(=O)C1CC3(CCC3)C1)C(C)(C)C)C2(C)C.
What is the InChIKey of N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide?
The InChIKey is VFPJECQWPFHQQH-XLNGHYISSA-N. The full InChI is InChI=1S/C22H36N2O2/c1-13-16-15(21(16,5)6)12-24(13)19(26)17(20(2,3)4)23-18(25)14-10-22(11-14)8-7-9-22/h13-17H,7-12H2,1-6H3,(H,23,25)/t13-,15+,16-,17-/m1/s1.
What are the key properties of N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide?
N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide has a molecular weight of 360.54 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3,3-dimethyl-1-oxo-1-[(1R,2R,5S)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-2-yl]spiro[3.3]heptane-2-carboxamide is sourced from PubChem (CID 170036292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).