(1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide

C9H15NO3 — CID 146552869

IUPAC(1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide
SMILESCNC(=O)C1(C)C[C@H]2C[C@]2(O)[C@@H]1O
InChIInChI=1S/C9H15NO3/c1-8(7(12)10-2)3-5-4-9(5,13)6(8)11/h5-6,11,13H,3-4H2,1-2H3,(H,10,12)/t5-,6+,8?,9+/m0/s1
InChIKeyYFHQWYHUCRXVKS-MKCJCUDPSA-N
MW185.22 g/mol
LogP-0.75
Rot. Bonds1

About (1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide

(1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 146552869) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound Name(1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide
PubChem CID146552869
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide
SMILESCNC(=O)C1(C)C[C@H]2C[C@]2(O)[C@@H]1O
InChIInChI=1S/C9H15NO3/c1-8(7(12)10-2)3-5-4-9(5,13)6(8)11/h5-6,11,13H,3-4H2,1-2H3,(H,10,12)/t5-,6+,8?,9+/m0/s1
InChIKeyYFHQWYHUCRXVKS-MKCJCUDPSA-N
XLogP-0.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 12537186

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of (1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide (CID 146552869) is (1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for (1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for (1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide is CNC(=O)C1(C)C[C@H]2C[C@]2(O)[C@@H]1O.
What is the InChIKey of (1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is YFHQWYHUCRXVKS-MKCJCUDPSA-N. The full InChI is InChI=1S/C9H15NO3/c1-8(7(12)10-2)3-5-4-9(5,13)6(8)11/h5-6,11,13H,3-4H2,1-2H3,(H,10,12)/t5-,6+,8?,9+/m0/s1.
What are the key properties of (1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide?
(1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 185.22 g/mol, XLogP of -0.75, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-1,2-dihydroxy-N,3-dimethylbicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 146552869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).