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](N)C1=O
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-0.01
Rot. Bonds1

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](N)C1=O
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-0.01
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(3-amino-2-oxopyrrolidin-1-yl)ethyl]carbamate
CID 171538458
ditert-butyl (2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]butanedioate
CID 102156239
tert-butyl (3R)-3-amino-2-oxopiperidine-1-carboxylate
CID 131152423
tert-butyl N-(2-oxo-3-trimethylsilylimidazolidin-1-yl)carbamate
CID 14278942
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234
tert-butyl N-(4-hydroxypiperidin-1-yl)carbamate;ethane
CID 144612195
tert-butyl N-(3-hydroxy-5-oxo-2H-pyrrol-1-yl)carbamate
CID 162373517
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl 2-(3-amino-2-oxopyrrolidin-1-yl)-2-phenylacetate
CID 75511205
tert-butyl N-[2-[(1S,5R)-2,4-dioxo-3-azabicyclo[3.2.0]heptan-3-yl]ethyl]carbamate
CID 167260928
(2R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
CID 51031273
(2S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]azetidine-2-carboxylic acid
CID 51031410

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](N)C1=O.
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 -0.01, 1 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).