tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol

C10H21NO4 — CID 145288050

IUPACtert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)C1.CO
InChIInChI=1S/C9H17NO3.CH4O/c1-9(2,3)13-8(12)10-5-4-7(11)6-10;1-2/h7,11H,4-6H2,1-3H3;2H,1H3/t7-;/m1./s1
InChIKeyAHOGHZQCQNYMOX-OGFXRTJISA-N
MW219.28 g/mol
LogP0.60
Rot. Bonds

About tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol

tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol (PubChem CID 145288050) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol.

Molecular Properties

Compound Nametert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
PubChem CID145288050
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Nametert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
SMILESCC(C)(C)OC(=O)N1CC[C@@H](O)C1.CO
InChIInChI=1S/C9H17NO3.CH4O/c1-9(2,3)13-8(12)10-5-4-7(11)6-10;1-2/h7,11H,4-6H2,1-3H3;2H,1H3/t7-;/m1./s1
InChIKeyAHOGHZQCQNYMOX-OGFXRTJISA-N
XLogP0.60
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-hydroxypyrrolidine-1-carboxylate;ethane;methanol;tungsten;hydrate
CID 170975790
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol
CID 157216636
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 162048844
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-methylsulfonyloxypyrrolidine-1-carboxylate
CID 87851758
tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate
CID 129314371
tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016
tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid
CID 122652546
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
lithium 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azocane-3-carboxylate
CID 171841250
tert-butyl (4S,5R)-4-hydroxy-5-methylazepane-1-carboxylate
CID 124523390
tert-butyl (3S,4S)-3-bromo-4-hydroxypiperidine-1-carboxylate
CID 125183576

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol?
The IUPAC name of tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol (CID 145288050) is tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol.
What is the SMILES notation for tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol?
The canonical SMILES for tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol is CC(C)(C)OC(=O)N1CC[C@@H](O)C1.CO.
What is the InChIKey of tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol?
The InChIKey is AHOGHZQCQNYMOX-OGFXRTJISA-N. The full InChI is InChI=1S/C9H17NO3.CH4O/c1-9(2,3)13-8(12)10-5-4-7(11)6-10;1-2/h7,11H,4-6H2,1-3H3;2H,1H3/t7-;/m1./s1.
What are the key properties of tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol?
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol has a molecular weight of 219.28 g/mol, XLogP of 0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol is sourced from PubChem (CID 145288050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).