N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

C12H21N3O2 — CID 106096594

IUPACN-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)C1CC2CCC1N2
InChIInChI=1S/C12H21N3O2/c1-12(2,6-10(13)16)15-11(17)8-5-7-3-4-9(8)14-7/h7-9,14H,3-6H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyCDWUWSKHKORSSH-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.10
Rot. Bonds4

About N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 106096594) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID106096594
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)C1CC2CCC1N2
InChIInChI=1S/C12H21N3O2/c1-12(2,6-10(13)16)15-11(17)8-5-7-3-4-9(8)14-7/h7-9,14H,3-6H2,1-2H3,(H2,13,16)(H,15,17)
InChIKeyCDWUWSKHKORSSH-UHFFFAOYSA-N
XLogP-0.10
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]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

N-(4-hydroxy-2,2-dimethylbutyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 114150080
N-(4-amino-2-methyl-4-oxobutan-2-yl)azetidine-3-carboxamide
CID 106096459
2-(aminomethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106096489
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4,4-difluorocyclohexane-1-carboxamide
CID 86789781
N-(2,2-difluoro-3-hydroxypropyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 106176726
N-[[1-(2-amino-2-oxoethyl)cyclopropyl]methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 172598940
(1S,6R)-6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 106095716
6-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 114142783
N-(6-hydroxyhexyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 107842560
methyl (1R,4S)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 131071322
tert-butyl (1R,2S,4R)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 100575330
3-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)cyclohexane-1-carboxamide
CID 106098538

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide (CID 106096594) is N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is CC(C)(CC(N)=O)NC(=O)C1CC2CCC1N2.
What is the InChIKey of N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is CDWUWSKHKORSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-12(2,6-10(13)16)15-11(17)8-5-7-3-4-9(8)14-7/h7-9,14H,3-6H2,1-2H3,(H2,13,16)(H,15,17).
What are the key properties of N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide?
N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.10, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methyl-4-oxobutan-2-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 106096594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).