methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate

C9H15NO3 — CID 126703914

IUPACmethyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)C1C(O)[C@H]2CCC1N2C
InChIInChI=1S/C9H15NO3/c1-10-5-3-4-6(10)8(11)7(5)9(12)13-2/h5-8,11H,3-4H2,1-2H3/t5?,6-,7?,8?/m1/s1
InChIKeyHYZGUECXAFEQNL-QQJWGCFSSA-N
MW185.22 g/mol
LogP-0.39
Rot. Bonds1

About methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate

methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 126703914) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate
PubChem CID126703914
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)C1C(O)[C@H]2CCC1N2C
InChIInChI=1S/C9H15NO3/c1-10-5-3-4-6(10)8(11)7(5)9(12)13-2/h5-8,11H,3-4H2,1-2H3/t5?,6-,7?,8?/m1/s1
InChIKeyHYZGUECXAFEQNL-QQJWGCFSSA-N
XLogP-0.39
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

dimethyl (1R,2S,4R,5R)-8-methyl-3-oxo-8-azabicyclo[3.2.1]octane-2,4-dicarboxylate
CID 98060994
methyl (1S,2R,3S,5R)-3-acetyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10354317
methyl (1R,2S,3R,4S)-7-methyl-3-(1-phenylethenyl)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 10849738
trideuteriomethyl (1R,2R,3S,5S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10631952
methyl 8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 22944649
methyl 7-methyl-3-(1-methylpyridin-1-ium-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxylate
CID 20669024
dimethyl (1S,2S,3R,4S)-bicyclo[2.2.0]hexane-2,3-dicarboxylate
CID 94034772
methyl (1R,2R,3S,5R,6S)-3-hydroxy-6-methoxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 10489581
methyl (1R,2R,3S,5S)-3-butanoyloxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 102446022
CID 158851641
CID 158851641
ethyl (1S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 161298426
methyl (1S,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CID 165339397

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate (CID 126703914) is methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate is COC(=O)C1C(O)[C@H]2CCC1N2C.
What is the InChIKey of methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is HYZGUECXAFEQNL-QQJWGCFSSA-N. The full InChI is InChI=1S/C9H15NO3/c1-10-5-3-4-6(10)8(11)7(5)9(12)13-2/h5-8,11H,3-4H2,1-2H3/t5?,6-,7?,8?/m1/s1.
What are the key properties of methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate?
methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 185.22 g/mol, XLogP of -0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-3-hydroxy-7-methyl-7-azabicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 126703914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).