tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide

C11H19NO5 — CID 159053694

IUPACtert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide
SMILESCC1C[C@@H](O)CN1C(=O)OC(C)(C)C.O=C=O
InChIInChI=1S/C10H19NO3.CO2/c1-7-5-8(12)6-11(7)9(13)14-10(2,3)4;2-1-3/h7-8,12H,5-6H2,1-4H3;/t7?,8-;/m1./s1
InChIKeyJXPBPOQXQHSAFE-LTTWWRRRSA-N
MW245.27 g/mol
LogP0.79
Rot. Bonds

About tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide

tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide (PubChem CID 159053694) has the molecular formula C11H19NO5 and a molecular weight of 245.27 g/mol. Its IUPAC name is tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide.

Molecular Properties

Compound Nametert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide
PubChem CID159053694
Molecular FormulaC11H19NO5
Molecular Weight245.27 g/mol
Exact Mass245.13
IUPAC Nametert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide
SMILESCC1C[C@@H](O)CN1C(=O)OC(C)(C)C.O=C=O
InChIInChI=1S/C10H19NO3.CO2/c1-7-5-8(12)6-11(7)9(13)14-10(2,3)4;2-1-3/h7-8,12H,5-6H2,1-4H3;/t7?,8-;/m1./s1
InChIKeyJXPBPOQXQHSAFE-LTTWWRRRSA-N
XLogP0.79
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (2S,4S)-2,4-dimethylpyrrolidine-1-carboxylate;tert-butyl (2S,4S)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 165101492
tert-butyl (2S)-4-deuterio-4-hydroxy-2-methylpyrrolidine-1-carboxylate
CID 172693001
tert-butyl (2R,4S)-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 18653318
tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
CID 118296593
tert-butyl (2R,5S)-4-amino-2,5-dimethylpiperidine-1-carboxylate
CID 170938178
tert-butyl (2S,4R,5R)-5-ethyl-4-hydroxy-2-methylpiperidine-1-carboxylate
CID 156802017
tert-butyl 4-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-4-oxobutanoate
CID 130286925
tert-butyl (2R)-4-hydroxy-2-(hydroxymethyl)pyrrolidine-1-carboxylate
CID 54350495
tert-butyl (2S)-2-carbamoyl-4-hydroxypyrrolidine-1-carboxylate
CID 67557534
tert-butyl 4-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 154523095
tert-butyl (2S,4R)-2-(dihydroxymethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 167170201
tert-butyl (2S,4S)-2-(bromomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 170900143

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide?
The IUPAC name of tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide (CID 159053694) is tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide.
What is the SMILES notation for tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide?
The canonical SMILES for tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide is CC1C[C@@H](O)CN1C(=O)OC(C)(C)C.O=C=O.
What is the InChIKey of tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide?
The InChIKey is JXPBPOQXQHSAFE-LTTWWRRRSA-N. The full InChI is InChI=1S/C10H19NO3.CO2/c1-7-5-8(12)6-11(7)9(13)14-10(2,3)4;2-1-3/h7-8,12H,5-6H2,1-4H3;/t7?,8-;/m1./s1.
What are the key properties of tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide?
tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide has a molecular weight of 245.27 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate;carbon dioxide is sourced from PubChem (CID 159053694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).