tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate

C15H30N2O3 — CID 103828072

IUPACtert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate
SMILESCCC(C)(CO)CNC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-6-15(5,11-18)10-16-12-7-8-17(9-12)13(19)20-14(2,3)4/h12,16,18H,6-11H2,1-5H3
InChIKeyDWJNSVHEBHPJLJ-UHFFFAOYSA-N
MW286.42 g/mol
LogP1.99
Rot. Bonds5

About tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate

tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate (PubChem CID 103828072) has the molecular formula C15H30N2O3 and a molecular weight of 286.42 g/mol. Its IUPAC name is tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate
PubChem CID103828072
Molecular FormulaC15H30N2O3
Molecular Weight286.42 g/mol
Exact Mass286.23
IUPAC Nametert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate
SMILESCCC(C)(CO)CNC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H30N2O3/c1-6-15(5,11-18)10-16-12-7-8-17(9-12)13(19)20-14(2,3)4/h12,16,18H,6-11H2,1-5H3
InChIKeyDWJNSVHEBHPJLJ-UHFFFAOYSA-N
XLogP1.99
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[(2-fluoro-2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 84710216
tert-butyl 3-(2,2-dimethylheptylamino)pyrrolidine-1-carboxylate
CID 103820994
tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate
CID 81462982
tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate
CID 103801756
tert-butyl 3-(5-hydroxypentylamino)pyrrolidine-1-carboxylate
CID 107302933
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane
CID 145162230
tert-butyl 3-[2-(oxan-4-yl)ethylamino]pyrrolidine-1-carboxylate
CID 167013141
tert-butyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyrrolidine-1-carboxylate
CID 130163280
tert-butyl 3-[(2,2-dimethylcyclopropyl)methylamino]pyrrolidine-1-carboxylate
CID 103802015
tert-butyl 4-(2,2,2-trifluoroethylamino)piperidine-1-carboxylate;hydrochloride
CID 56965527
tert-butyl 3-[(1-ethylpiperidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 81338126

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate (CID 103828072) is tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate is CCC(C)(CO)CNC1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is DWJNSVHEBHPJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O3/c1-6-15(5,11-18)10-16-12-7-8-17(9-12)13(19)20-14(2,3)4/h12,16,18H,6-11H2,1-5H3.
What are the key properties of tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 286.42 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103828072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).