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

C9H17N3O3 — CID 45092234

IUPACtert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(N)C1=O
InChIInChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)11-6-4-5-12(10)7(6)13/h6H,4-5,10H2,1-3H3,(H,11,14)/t6-/m0/s1
InChIKeyXGBZAAMECNYFKT-LURJTMIESA-N
MW215.25 g/mol
LogP-0.01
Rot. Bonds1

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

tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 45092234) has the molecular formula C9H17N3O3 and a molecular weight of 215.25 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
PubChem CID45092234
Molecular FormulaC9H17N3O3
Molecular Weight215.25 g/mol
Exact Mass215.13
IUPAC Nametert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(N)C1=O
InChIInChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)11-6-4-5-12(10)7(6)13/h6H,4-5,10H2,1-3H3,(H,11,14)/t6-/m0/s1
InChIKeyXGBZAAMECNYFKT-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]carbamate
CID 72533232
tert-butyl N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]carbamate
CID 10614962
tert-butyl N-[(3S)-1-(cyclopropanecarbonyl)-2-oxoazepan-3-yl]carbamate
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tert-butyl N-[(3S)-1-(dimethylcarbamoyl)-2-oxoazepan-3-yl]carbamate
CID 21101908
tert-butyl N-[(3R)-1-(cyclohexylmethyl)-2-oxopyrrolidin-3-yl]carbamate
CID 86603752
methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate
CID 611542
tert-butyl N-[(3S)-1-(cyclohexanecarbonyl)-2-oxoazepan-3-yl]carbamate
CID 90883687
tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopiperidine-1-carboxylate
CID 71567400
tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 688318
tert-butyl N-(1-methyl-2,5-dioxopyrrolidin-3-yl)carbamate
CID 58735408
tert-butyl N-[(3S)-1-(6-amino-4-chloro-2-pyridinyl)-2-oxopyrrolidin-3-yl]carbamate
CID 158748267

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate (CID 45092234) is tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN(N)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is XGBZAAMECNYFKT-LURJTMIESA-N. The full InChI is InChI=1S/C9H17N3O3/c1-9(2,3)15-8(14)11-6-4-5-12(10)7(6)13/h6H,4-5,10H2,1-3H3,(H,11,14)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-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)-1-amino-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 45092234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).