tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate

C15H30N2O2 — CID 101375813

IUPACtert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate
SMILESCCC(C)[C@@H](CN1CCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-6-12(2)13(11-17-9-7-8-10-17)16-14(18)19-15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,18)/t12?,13-/m1/s1
InChIKeyJPIGIYODOWZRIX-ZGTCLIOFSA-N
MW270.42 g/mol
LogP3.02
Rot. Bonds5

About tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate

tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate (PubChem CID 101375813) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate
PubChem CID101375813
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Nametert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate
SMILESCCC(C)[C@@H](CN1CCCC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C15H30N2O2/c1-6-12(2)13(11-17-9-7-8-10-17)16-14(18)19-15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,18)/t12?,13-/m1/s1
InChIKeyJPIGIYODOWZRIX-ZGTCLIOFSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(2S)-4-methyl-1-piperidin-1-ylpentan-2-yl]carbamate
CID 11832975
tert-butyl N-[(2S,3S)-3-(methoxymethoxy)-1-piperidin-1-ylheptadecan-2-yl]carbamate
CID 162670011
tert-butyl 2-(1-pyrrolidin-1-ylpropan-2-ylamino)propanoate
CID 66337589
tert-butyl N-[(2S)-1-morpholin-4-ylpropan-2-yl]carbamate
CID 58441909
3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoic acid
CID 19078227
tert-butyl N-[3-(1-piperidin-1-ylpropan-2-ylamino)cyclobutyl]carbamate
CID 103759524
tert-butyl N-[(3R)-1-[ethyl(pyrrolidin-1-yl)amino]-4-methyl-1-oxopentan-3-yl]carbamate
CID 69432150
methyl (2S,3S)-3-methyl-2-[methyl-[(2S,3S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentyl]amino]pentanoate
CID 10737130
tert-butyl N-[(1S,2R)-1-bromo-1-cyclohexyl-3-morpholin-4-ylpropan-2-yl]carbamate
CID 46838857
tert-butyl N-[1-(azepan-1-yl)-1-oxopropan-2-yl]carbamate
CID 24689322
tert-butyl N-[(1R)-2-fluoro-1-pyrrolidin-1-ylethyl]carbamate
CID 139781998
tert-butyl N-[3-(1-pyrrolidin-1-ylpropan-2-ylamino)cyclohexyl]carbamate
CID 103720166

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate (CID 101375813) is tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate is CCC(C)[C@@H](CN1CCCC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate?
The InChIKey is JPIGIYODOWZRIX-ZGTCLIOFSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-6-12(2)13(11-17-9-7-8-10-17)16-14(18)19-15(3,4)5/h12-13H,6-11H2,1-5H3,(H,16,18)/t12?,13-/m1/s1.
What are the key properties of tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate?
tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate has a molecular weight of 270.42 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2S)-3-methyl-1-pyrrolidin-1-ylpentan-2-yl]carbamate is sourced from PubChem (CID 101375813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).