tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate

C9H17NO4 — CID 139658733

IUPACtert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@]1(O)CCCN1O
InChIInChI=1S/C9H17NO4/c1-8(2,3)14-7(11)9(12)5-4-6-10(9)13/h12-13H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyWLXXBHHUMNEHGX-SECBINFHSA-N
MW203.24 g/mol
LogP0.50
Rot. Bonds1

About tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate

tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate (PubChem CID 139658733) has the molecular formula C9H17NO4 and a molecular weight of 203.24 g/mol. Its IUPAC name is tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate
PubChem CID139658733
Molecular FormulaC9H17NO4
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC Nametert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@]1(O)CCCN1O
InChIInChI=1S/C9H17NO4/c1-8(2,3)14-7(11)9(12)5-4-6-10(9)13/h12-13H,4-6H2,1-3H3/t9-/m1/s1
InChIKeyWLXXBHHUMNEHGX-SECBINFHSA-N
XLogP0.50
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22556536
tert-butyl 1-hydroxycyclopentane-1-carboxylate
CID 86626433
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
(2S)-1-methoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 68992884
tert-butyl 1-piperidin-1-ylcyclohexane-1-carboxylate
CID 174921229
4-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[2.2.2]octane-1-carboxylic acid
CID 23149699
tert-butyl 2-methylspiro[2.2]pentane-2-carboxylate
CID 130268262
tert-butyl 1-hydroxypyrrolidine-2-carboxylate
CID 22666904
tert-butyl 1-methoxycyclopropane-1-carboxylate
CID 156662901
tert-butyl 2-(3-hydroxy-1-methylpiperidin-3-yl)acetate
CID 115037342
tert-butyl 1-piperazin-1-ylcyclohexane-1-carboxylate
CID 167739265
tert-butyl (4aR,8aR)-8a-hydroxy-1,3,4,4a,5,6,7,8-octahydroisoquinoline-2-carboxylate
CID 178203012

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate (CID 139658733) is tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@]1(O)CCCN1O.
What is the InChIKey of tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate?
The InChIKey is WLXXBHHUMNEHGX-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO4/c1-8(2,3)14-7(11)9(12)5-4-6-10(9)13/h12-13H,4-6H2,1-3H3/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate?
tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate has a molecular weight of 203.24 g/mol, XLogP of 0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1,2-dihydroxypyrrolidine-2-carboxylate is sourced from PubChem (CID 139658733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).