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

C12H24N2O2 — CID 66569336

IUPACtert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)[C@H]1CCNC1
InChIInChI=1S/C12H24N2O2/c1-9(2)14(10-6-7-13-8-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyZHPPISBEWBMXCD-JTQLQIEISA-N
MW228.34 g/mol
LogP1.99
Rot. Bonds2

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

tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate (PubChem CID 66569336) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
PubChem CID66569336
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nametert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
SMILESCC(C)N(C(=O)OC(C)(C)C)[C@H]1CCNC1
InChIInChI=1S/C12H24N2O2/c1-9(2)14(10-6-7-13-8-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3/t10-/m0/s1
InChIKeyZHPPISBEWBMXCD-JTQLQIEISA-N
XLogP1.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034
tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 167504165
tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate
CID 67191248
tert-butyl 2-[2-methylpropyl-[(3R)-pyrrolidin-3-yl]amino]acetate
CID 68999628
tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate
CID 168977654
tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 87304052
tert-butyl N-[(1S)-1-(2-chloro-6-propylpyrimidin-4-yl)ethyl]-N-pyrrolidin-3-ylcarbamate
CID 88922700
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
tert-butyl N-(3-fluoropropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 58365097
tert-butyl N-[1-(2-hydroxyethyl)piperidin-4-yl]-N-propan-2-ylcarbamate
CID 66566034
tert-butyl N-methyl-N-(3-methylpiperidin-4-yl)carbamate
CID 53415355
tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate
CID 58332169

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate (CID 66569336) is tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate is CC(C)N(C(=O)OC(C)(C)C)[C@H]1CCNC1.
What is the InChIKey of tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate?
The InChIKey is ZHPPISBEWBMXCD-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)14(10-6-7-13-8-10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3/t10-/m0/s1.
What are the key properties of tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate?
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 66569336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).