tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate

C10H20N2O2 — CID 11138119

IUPACtert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate
SMILESC[C@H]1CNC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)12-9(13)14-10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyBKITXDSDJGOXPN-JGVFFNPUSA-N
MW200.28 g/mol
LogP1.12
Rot. Bonds1

About tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate

tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate (PubChem CID 11138119) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate
PubChem CID11138119
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Nametert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate
SMILESC[C@H]1CNC[C@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)12-9(13)14-10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyBKITXDSDJGOXPN-JGVFFNPUSA-N
XLogP1.12
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate (CID 11138119) is tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate is C[C@H]1CNC[C@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate?
The InChIKey is BKITXDSDJGOXPN-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-7-5-11-6-8(7)12-9(13)14-10(2,3)4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate has a molecular weight of 200.28 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S)-4-methylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 11138119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).