3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C10H15NO3 — CID 103935403

IUPAC3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESC[C@@H](O)CN1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C10H15NO3/c1-5(12)4-11-8(13)6-7(9(11)14)10(6,2)3/h5-7,12H,4H2,1-3H3/t5-,6?,7?/m1/s1
InChIKeyBSUHYYUIZKJHGS-GRQBKTHUSA-N
MW197.23 g/mol
LogP0.01
Rot. Bonds2

About 3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 103935403) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID103935403
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESC[C@@H](O)CN1C(=O)C2C(C1=O)C2(C)C
InChIInChI=1S/C10H15NO3/c1-5(12)4-11-8(13)6-7(9(11)14)10(6,2)3/h5-7,12H,4H2,1-3H3/t5-,6?,7?/m1/s1
InChIKeyBSUHYYUIZKJHGS-GRQBKTHUSA-N
XLogP0.01
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(3,3,3-Trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 103686829
3-(3,3-Difluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 105649176
3-(3,3-Difluoro-2-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 105649217
3-(2,2-Difluoro-3-hydroxypropyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 106172527
6,6-Dimethyl-3-(3,3,3-trifluoro-2-hydroxypropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 113240246
2-(2-Hydroxyethyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 14690766
6,6-Dimethyl-3-(2-methylpropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 58799738
3-(2-Hydroxyethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 61207334
2-(2-Hydroxypropyl)-8-methyl-2,8-diazaspiro[4.5]decane-1,3-dione
CID 66886078
3-Ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 68324219
(2S)-2-tert-butyl-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-piperidin-1-ylbutane-1,4-dione
CID 117615922
Ethane;3-ethyl-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 143012227

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 103935403) is 3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is C[C@@H](O)CN1C(=O)C2C(C1=O)C2(C)C.
What is the InChIKey of 3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is BSUHYYUIZKJHGS-GRQBKTHUSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5(12)4-11-8(13)6-7(9(11)14)10(6,2)3/h5-7,12H,4H2,1-3H3/t5-,6?,7?/m1/s1.
What are the key properties of 3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 197.23 g/mol, XLogP of 0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-hydroxypropyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 103935403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).