tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate

C9H17N3O3 — CID 57152882

IUPACtert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1CC[C@@H](C1=O)N
InChIInChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)11-12-5-4-6(10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)/t6-/m0/s1
InChIKeyPZFMNYMSSAVGLK-LURJTMIESA-N
MW215.25 g/mol
LogP-0.10
Rot. Bonds2

About tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate

tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate (PubChem CID 57152882) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate
PubChem CID57152882
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Nametert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate
SMILESCC(C)(C)OC(=O)NN1CC[C@@H](C1=O)N
InChIInChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)11-12-5-4-6(10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)/t6-/m0/s1
InChIKeyPZFMNYMSSAVGLK-LURJTMIESA-N
XLogP-0.10
TPSA84.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity272

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.10
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)-3-amino-2-oxopyrrolidin-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate (CID 57152882) is tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate is CC(C)(C)OC(=O)NN1CC[C@@H](C1=O)N.
What is the InChIKey of tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate?
The InChIKey is PZFMNYMSSAVGLK-LURJTMIESA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)11-12-5-4-6(10)7(12)13/h6H,4-5,10H2,1-3H3,(H,11,14)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate?
tert-butyl N-[(3S)-3-amino-2-oxopyrrolidin-1-yl]carbamate has a molecular weight of 215.25 g/mol, XLogP of -0.10, 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)-3-amino-2-oxopyrrolidin-1-yl]carbamate is sourced from PubChem (CID 57152882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).