tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate

C13H25NO3 — CID 115537592

IUPACtert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate
SMILESCC(C)(O)CN1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-11(15)10-7-6-8-14(10)9-13(4,5)16/h10,16H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyXCYBBBKMUCBTLI-SNVBAGLBSA-N
MW243.35 g/mol
LogP1.56
Rot. Bonds3

About tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate

tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate (PubChem CID 115537592) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate
PubChem CID115537592
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Nametert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate
SMILESCC(C)(O)CN1CCC[C@@H]1C(=O)OC(C)(C)C
InChIInChI=1S/C13H25NO3/c1-12(2,3)17-11(15)10-7-6-8-14(10)9-13(4,5)16/h10,16H,6-9H2,1-5H3/t10-/m1/s1
InChIKeyXCYBBBKMUCBTLI-SNVBAGLBSA-N
XLogP1.56
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (2R)-1-(aminomethyl)pyrrolidine-2-carboxylate
CID 93046631
2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010126
tert-butyl (2R)-1-(cyclopropylmethyl)pyrrolidine-2-carboxylate
CID 81002802
tert-butyl 1-propylpyrrolidine-2-carboxylate
CID 23383587
methyl 1-(2-hydroxy-2-methylpropyl)piperidine-2-carboxylate
CID 78927348
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid
CID 67010129
2-[2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]acetic acid;hydrochloride
CID 67010128
tert-butyl (2S)-1-butylpyrrolidine-2-carboxylate
CID 81002235
tert-butyl (2S)-1-(3-amino-3-oxopropyl)pyrrolidine-2-carboxylate
CID 81001922
tert-butyl (2R)-1-nonylpyrrolidine-2-carboxylate
CID 115537600
tert-butyl (2R)-1-(3-methoxy-3-methylbutyl)pyrrolidine-2-carboxylate
CID 102977800
tert-butyl (2R)-1-(2-cyanoethyl)pyrrolidine-2-carboxylate
CID 80709651

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate (CID 115537592) is tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate is CC(C)(O)CN1CCC[C@@H]1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate?
The InChIKey is XCYBBBKMUCBTLI-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H25NO3/c1-12(2,3)17-11(15)10-7-6-8-14(10)9-13(4,5)16/h10,16H,6-9H2,1-5H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate has a molecular weight of 243.35 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-(2-hydroxy-2-methylpropyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 115537592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).