tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate

C16H32N2O2 — CID 83981096

IUPACtert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate
SMILESCC(C)CN1CCC(CC(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)10-18-8-7-14(11-18)9-13(3)17-15(19)20-16(4,5)6/h12-14H,7-11H2,1-6H3,(H,17,19)
InChIKeyAQQODBYYIBKWSS-UHFFFAOYSA-N
MW284.44 g/mol
LogP3.27
Rot. Bonds5

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

tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate (PubChem CID 83981096) has the molecular formula C16H32N2O2 and a molecular weight of 284.44 g/mol. Its IUPAC name is tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate
PubChem CID83981096
Molecular FormulaC16H32N2O2
Molecular Weight284.44 g/mol
Exact Mass284.25
IUPAC Nametert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate
SMILESCC(C)CN1CCC(CC(C)NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H32N2O2/c1-12(2)10-18-8-7-14(11-18)9-13(3)17-15(19)20-16(4,5)6/h12-14H,7-11H2,1-6H3,(H,17,19)
InChIKeyAQQODBYYIBKWSS-UHFFFAOYSA-N
XLogP3.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[1-[1-[(4-methylphenyl)methyl]pyrrolidin-3-yl]propan-2-yl]carbamate
CID 83980849
tert-butyl N-[1-(1-propylpiperidin-3-yl)propan-2-yl]carbamate
CID 83982889
tert-butyl N-[1-(1-methylpiperidin-3-yl)propan-2-yl]carbamate
CID 83983009
tert-butyl N-[1-(2-methylpropyl)pyrrolidin-3-yl]carbamate
CID 75993976
tert-butyl N-[1-[1-(4-chlorophenyl)pyrrolidin-3-yl]propan-2-yl]carbamate
CID 83981438
methyl 2-amino-3-[1-(2-methylpropyl)pyrrolidin-3-yl]propanoate
CID 83981066
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1-methylpyrrolidin-3-yl)propanoic acid
CID 84713340
tert-butyl N-[(1R,2S)-2-[[3-(2-methylpropyl)piperidin-1-yl]methyl]cyclohexyl]carbamate
CID 59007490
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
tert-butyl N-[1-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propan-2-yl]carbamate
CID 107248008
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
tert-butyl N-[1-[(2S)-2-hydroxypropyl]piperidin-4-yl]carbamate
CID 86330277

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate (CID 83981096) is tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate is CC(C)CN1CCC(CC(C)NC(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate?
The InChIKey is AQQODBYYIBKWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O2/c1-12(2)10-18-8-7-14(11-18)9-13(3)17-15(19)20-16(4,5)6/h12-14H,7-11H2,1-6H3,(H,17,19).
What are the key properties of tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate?
tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate has a molecular weight of 284.44 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[1-(2-methylpropyl)pyrrolidin-3-yl]propan-2-yl]carbamate is sourced from PubChem (CID 83981096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).