2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one

C9H16N2O3 — CID 146268020

IUPAC2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one
SMILESCN1CC2(C1)CN(C(=O)C(O)CO)C2
InChIInChI=1S/C9H16N2O3/c1-10-3-9(4-10)5-11(6-9)8(14)7(13)2-12/h7,12-13H,2-6H2,1H3
InChIKeyDMTXBMPOJTXJSL-UHFFFAOYSA-N
MW200.24 g/mol
LogP-1.89
Rot. Bonds2

About 2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one

2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one (PubChem CID 146268020) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one.

Molecular Properties

Compound Name2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one
PubChem CID146268020
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one
SMILESCN1CC2(C1)CN(C(=O)C(O)CO)C2
InChIInChI=1S/C9H16N2O3/c1-10-3-9(4-10)5-11(6-9)8(14)7(13)2-12/h7,12-13H,2-6H2,1H3
InChIKeyDMTXBMPOJTXJSL-UHFFFAOYSA-N
XLogP-1.89
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 5-1.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one?
The IUPAC name of 2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one (CID 146268020) is 2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one.
What is the SMILES notation for 2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one?
The canonical SMILES for 2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one is CN1CC2(C1)CN(C(=O)C(O)CO)C2.
What is the InChIKey of 2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one?
The InChIKey is DMTXBMPOJTXJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-10-3-9(4-10)5-11(6-9)8(14)7(13)2-12/h7,12-13H,2-6H2,1H3.
What are the key properties of 2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one?
2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one has a molecular weight of 200.24 g/mol, XLogP of -1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxy-1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)propan-1-one is sourced from PubChem (CID 146268020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).