tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate

C14H28N2O3 — CID 124606498

IUPACtert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O3/c1-13(2,3)19-12(17)15-8-11-6-7-16(9-11)10-14(4,5)18/h11,18H,6-10H2,1-5H3,(H,15,17)/t11-/m1/s1
InChIKeyVVKLJVSQYUJSAA-LLVKDONJSA-N
MW272.39 g/mol
LogP1.60
Rot. Bonds4

About tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate

tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate (PubChem CID 124606498) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
PubChem CID124606498
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nametert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate
SMILESCC(C)(O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H28N2O3/c1-13(2,3)19-12(17)15-8-11-6-7-16(9-11)10-14(4,5)18/h11,18H,6-10H2,1-5H3,(H,15,17)/t11-/m1/s1
InChIKeyVVKLJVSQYUJSAA-LLVKDONJSA-N
XLogP1.60
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-((pyrrolidin-3-yl)methyl)carbamate
CID 4250767
4-Boc-aminomethyl-3-hydroxy-1-N-Boc-pyrrolidine
CID 4532904
tert-butyl N-[[(3S,4S)-4-ethoxypyrrolidin-3-yl]methyl]carbamate
CID 122163615
tert-Butyl (3S)-3-(aminomethyl)pyrrolidine-1-carboxylate
CID 1514454
tert-Butyl (3R)-3-(aminomethyl)pyrrolidine-1-carboxylate
CID 1515152
(S)-3-N-Boc-aminomethyl pyrrolidine
CID 1519426
(R)-3-N-Boc-Aminomethyl pyrrolidine
CID 1519427
tert-Butyl 3-(aminomethyl)pyrrolidine-1-carboxylate
CID 2756485
Tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
CID 10584835
tert-butyl (3R)-3-((methylamino)methyl)pyrrolidine-1-carboxylate
CID 10900007
tert-butyl N-((3-methylpyrrolidin-3-yl)methyl)carbamate
CID 15129218
tert-Butyl 3-(aminomethyl)-3-hydroxy-1-pyrrolidinecarboxylate
CID 20067150

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate (CID 124606498) is tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate is CC(C)(O)CN1CC[C@H](CNC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate?
The InChIKey is VVKLJVSQYUJSAA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-13(2,3)19-12(17)15-8-11-6-7-16(9-11)10-14(4,5)18/h11,18H,6-10H2,1-5H3,(H,15,17)/t11-/m1/s1.
What are the key properties of tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate?
tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate has a molecular weight of 272.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(3R)-1-(2-hydroxy-2-methylpropyl)pyrrolidin-3-yl]methyl]carbamate is sourced from PubChem (CID 124606498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).