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

C10H20N2O3 — CID 15069970

IUPACtert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate
SMILESCO[C@@H]1CNC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-5-11-6-8(7)14-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyPIGDOXPNNMFBNA-JGVFFNPUSA-N
MW216.28 g/mol
LogP0.50
Rot. Bonds2

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

tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate (PubChem CID 15069970) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate
PubChem CID15069970
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate
SMILESCO[C@@H]1CNC[C@@H]1NC(=O)OC(C)(C)C
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-5-11-6-8(7)14-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m0/s1
InChIKeyPIGDOXPNNMFBNA-JGVFFNPUSA-N
XLogP0.50
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate (CID 15069970) is tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate is CO[C@@H]1CNC[C@@H]1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate?
The InChIKey is PIGDOXPNNMFBNA-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(13)12-7-5-11-6-8(7)14-4/h7-8,11H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m0/s1.
What are the key properties of tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate has a molecular weight of 216.28 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4R)-4-methoxypyrrolidin-3-yl]carbamate is sourced from PubChem (CID 15069970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).