tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol

C14H27NO4 — CID 157216636

IUPACtert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol
SMILESCC(C)(C)OC(=O)N1CCC(O)C1.OC1CCCC1
InChIInChI=1S/C9H17NO3.C5H10O/c1-9(2,3)13-8(12)10-5-4-7(11)6-10;6-5-3-1-2-4-5/h7,11H,4-6H2,1-3H3;5-6H,1-4H2
InChIKeyASMOEZDXRWRSGP-UHFFFAOYSA-N
MW273.37 g/mol
LogP1.91
Rot. Bonds

About tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol

tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol (PubChem CID 157216636) has the molecular formula C14H27NO4 and a molecular weight of 273.37 g/mol. Its IUPAC name is tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol.

Molecular Properties

Compound Nametert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol
PubChem CID157216636
Molecular FormulaC14H27NO4
Molecular Weight273.37 g/mol
Exact Mass273.19
IUPAC Nametert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol
SMILESCC(C)(C)OC(=O)N1CCC(O)C1.OC1CCCC1
InChIInChI=1S/C9H17NO3.C5H10O/c1-9(2,3)13-8(12)10-5-4-7(11)6-10;6-5-3-1-2-4-5/h7,11H,4-6H2,1-3H3;5-6H,1-4H2
InChIKeyASMOEZDXRWRSGP-UHFFFAOYSA-N
XLogP1.91
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;ethane;methanol;tungsten;hydrate
CID 170975790
tert-butyl (3S)-3-hydroxypyrrolidine-1-carboxylate;tert-butyl (3S)-3-methoxypyrrolidine-1-carboxylate
CID 162048844
tert-butyl 3-(4-hydroxypiperidine-1-carbonyl)pyrrolidine-1-carboxylate
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tert-butyl 3-hydroxypyrrolidine-1-carboxylate;tert-butyl 3-methylsulfonyloxypyrrolidine-1-carboxylate
CID 87851758
tert-butyl 3-hydroxyazepane-1-carboxylate;toluene
CID 156749659
tert-butyl 4-hydroxypiperidine-1-carboxylate;2-methylprop-2-enoic acid
CID 122652546
tert-butyl (3S)-3-(4-hydroxypiperidin-1-yl)piperidine-1-carboxylate
CID 129353870
tert-butyl 3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxylate
CID 63788488
lithium 6-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]azocane-3-carboxylate
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tert-butyl (3R)-3-methylpyrrolidine-1-carboxylate
CID 59070240
tert-butyl (4R)-4-hydroxy-3-methylpiperidine-1-carboxylate
CID 118535016

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol?
The IUPAC name of tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol (CID 157216636) is tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol.
What is the SMILES notation for tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol?
The canonical SMILES for tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol is CC(C)(C)OC(=O)N1CCC(O)C1.OC1CCCC1.
What is the InChIKey of tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol?
The InChIKey is ASMOEZDXRWRSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.C5H10O/c1-9(2,3)13-8(12)10-5-4-7(11)6-10;6-5-3-1-2-4-5/h7,11H,4-6H2,1-3H3;5-6H,1-4H2.
What are the key properties of tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol?
tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol has a molecular weight of 273.37 g/mol, XLogP of 1.91, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxypyrrolidine-1-carboxylate;cyclopentanol is sourced from PubChem (CID 157216636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).