tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate

C14H25NO3 — CID 76764579

IUPACtert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)C2CCCC21C
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-9-7-11(16)10-6-5-8-14(10,15)4/h10-11,16H,5-9H2,1-4H3
InChIKeyDCZDYSFMTUEYET-UHFFFAOYSA-N
MW255.36 g/mol
LogP2.55
Rot. Bonds

About tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate

tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate (PubChem CID 76764579) has the molecular formula C14H25NO3 and a molecular weight of 255.36 g/mol. Its IUPAC name is tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate
PubChem CID76764579
Molecular FormulaC14H25NO3
Molecular Weight255.36 g/mol
Exact Mass255.18
IUPAC Nametert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)C2CCCC21C
InChIInChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-9-7-11(16)10-6-5-8-14(10,15)4/h10-11,16H,5-9H2,1-4H3
InChIKeyDCZDYSFMTUEYET-UHFFFAOYSA-N
XLogP2.55
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 9-hydroxy-1-azaspiro[5.5]undecane-1-carboxylate
CID 155895162
tert-butyl 1-methyl-2,8-diazabicyclo[5.2.0]nonane-2-carboxylate
CID 130114811
3-(2-hydroxycyclohexyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 103719547
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
(2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylate
CID 27281685
tert-butyl 3-(2-aminoethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 84801667
tert-butyl 6-(aminomethyl)-1-azaspiro[3.5]nonane-1-carboxylate
CID 155892408
tert-butyl 2-amino-2-methylpiperidine-1-carboxylate
CID 69118170
tert-butyl (7S)-7-amino-4-azaspiro[2.5]octane-4-carboxylate
CID 171991625
tert-butyl (7S)-7-methoxy-4-azaspiro[2.4]hept-1-ene-4-carboxylate
CID 146598131
tert-butyl (1S)-1-methyl-7-oxo-2-azabicyclo[3.2.0]heptane-2-carboxylate
CID 156758119

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate (CID 76764579) is tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)C2CCCC21C.
What is the InChIKey of tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate?
The InChIKey is DCZDYSFMTUEYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO3/c1-13(2,3)18-12(17)15-9-7-11(16)10-6-5-8-14(10,15)4/h10-11,16H,5-9H2,1-4H3.
What are the key properties of tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate?
tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate has a molecular weight of 255.36 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-hydroxy-7a-methyl-3,4,4a,5,6,7-hexahydro-2H-cyclopenta[b]pyridine-1-carboxylate is sourced from PubChem (CID 76764579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).