3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid

C15H26N2O3 — CID 123207942

IUPAC3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESCC(C)(C)C(N)C(=O)N1CC2C(CC2(C)C)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-14(2,3)11(16)12(18)17-7-9-8(6-15(9,4)5)10(17)13(19)20/h8-11H,6-7,16H2,1-5H3,(H,19,20)
InChIKeyIYJGQHGYQPDTSG-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.32
Rot. Bonds2

About 3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid

3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid (PubChem CID 123207942) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is 3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
PubChem CID123207942
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILESCC(C)(C)C(N)C(=O)N1CC2C(CC2(C)C)C1C(=O)O
InChIInChI=1S/C15H26N2O3/c1-14(2,3)11(16)12(18)17-7-9-8(6-15(9,4)5)10(17)13(19)20/h8-11H,6-7,16H2,1-5H3,(H,19,20)
InChIKeyIYJGQHGYQPDTSG-UHFFFAOYSA-N
XLogP1.32
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S,5S)-3-(2-amino-3,3-dimethylbutanoyl)spiro[3-azabicyclo[3.1.0]hexane-6,1'-cyclopropane]-2-carboxylic acid
CID 170165825
(1S,2S,3S,6R,7S)-4-[(2S)-2-amino-3,3-dimethylbutanoyl]spiro[4-azatricyclo[5.2.1.02,6]decane-9,1'-cyclopropane]-3-carboxylic acid
CID 167424934
methyl 3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate
CID 76533160
methyl (1S,2S,5R)-3-[(2R)-2-amino-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylate;hydrochloride
CID 118703554
(1R,2S,5S)-3-[(2S)-2-amino-4-hydroxy-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxylic acid
CID 169194187
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-propan-2-ylpyrrolidine-2-carboxylic acid
CID 169193302
(3S,3aS,6aS)-N-(4-amino-1-cyclopropyl-3,4-dioxobutan-2-yl)-2-[(2S)-2-amino-3,3-dimethylbutanoyl]-6,6-dimethyl-1,3,3a,4,5,6a-hexahydrocyclopenta[c]pyrrole-3-carboxamide
CID 70331813
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 61158610
(2S,4R)-1-(2-amino-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113353486
1-[(2R)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 103929460
1-[(2S)-2-amino-3,3-dimethylbutanoyl]-4-hydroxypyrrolidine-2-carboxylic acid;hydrochloride
CID 168776357
2-amino-3,3-dimethyl-1-[(3R)-3-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]butan-1-one
CID 70860436

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The IUPAC name of 3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid (CID 123207942) is 3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid.
What is the SMILES notation for 3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The canonical SMILES for 3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid is CC(C)(C)C(N)C(=O)N1CC2C(CC2(C)C)C1C(=O)O.
What is the InChIKey of 3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid?
The InChIKey is IYJGQHGYQPDTSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-14(2,3)11(16)12(18)17-7-9-8(6-15(9,4)5)10(17)13(19)20/h8-11H,6-7,16H2,1-5H3,(H,19,20).
What are the key properties of 3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid?
3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid has a molecular weight of 282.38 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.2.0]heptane-2-carboxylic acid is sourced from PubChem (CID 123207942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).