tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate

C10H19NO4 — CID 71630502

IUPACtert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CO)C1
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-5-4-10(14,6-11)7-12/h12,14H,4-7H2,1-3H3
InChIKeyRMEKXQFQLXPULQ-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.35
Rot. Bonds1

About tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate

tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate (PubChem CID 71630502) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
PubChem CID71630502
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nametert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)(CO)C1
InChIInChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-5-4-10(14,6-11)7-12/h12,14H,4-7H2,1-3H3
InChIKeyRMEKXQFQLXPULQ-UHFFFAOYSA-N
XLogP0.35
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (3S)-3-hydroxy-3-(hydroxymethyl)piperidine-1-carboxylate
CID 97172659
tert-butyl 3-(aminooxymethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 105490874
tert-butyl 4-hydroxy-4-(nitrosomethyl)piperidine-1-carboxylate
CID 142979907
tert-butyl (4R)-3,3-difluoro-4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
CID 97290046
tert-butyl 4-(2,2-difluoroethyl)-4-hydroxypiperidine-1-carboxylate
CID 170341437
tert-butyl 3,3-difluoropyrrolidine-1-carboxylate
CID 18542424
tert-butyl (3R)-3-benzyl-3-hydroxypiperidine-1-carboxylate
CID 97114215
tert-butyl (3S)-3-fluoro-3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 156538802
tert-butyl 3-[(3-chlorophenyl)methyl]-3-hydroxypyrrolidine-1-carboxylate
CID 71757706
tert-butyl (3R)-3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 70992618
tert-butyl 3-hydroxy-3-[[2-[methoxy(methyl)amino]-2-oxoethyl]sulfanylmethyl]pyrrolidine-1-carboxylate
CID 126832989
zinc tert-butyl 3-methanidyl-3-methylpyrrolidine-1-carboxylate
CID 162464292

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate (CID 71630502) is tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)(CO)C1.
What is the InChIKey of tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
The InChIKey is RMEKXQFQLXPULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,3)15-8(13)11-5-4-10(14,6-11)7-12/h12,14H,4-7H2,1-3H3.
What are the key properties of tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate?
tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate has a molecular weight of 217.26 g/mol, XLogP of 0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-hydroxy-3-(hydroxymethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 71630502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).