tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate

C9H16N2O3 — CID 84669461

IUPACtert-butyl N-(4-oxopyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNCC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-10-5-7(6)12/h6,10H,4-5H2,1-3H3,(H,11,13)
InChIKeyAEHUQLIAGVWGJC-UHFFFAOYSA-N
MW200.24 g/mol
LogP0.05
Rot. Bonds1

About tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate

tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate (PubChem CID 84669461) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-oxopyrrolidin-3-yl)carbamate
PubChem CID84669461
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nametert-butyl N-(4-oxopyrrolidin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CNCC1=O
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-10-5-7(6)12/h6,10H,4-5H2,1-3H3,(H,11,13)
InChIKeyAEHUQLIAGVWGJC-UHFFFAOYSA-N
XLogP0.05
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
CID 24728871
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
tert-butyl N-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]carbamate
CID 11127248
3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxocyclopentane-1-carboxylic acid
CID 117272613
tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
CID 155351163
tert-butyl N-[(1R)-2-oxocyclopent-3-en-1-yl]carbamate
CID 100954112
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
CID 71301758
tert-butyl N-[(4S)-1,1,3-trioxothian-4-yl]carbamate
CID 11807521
tert-butyl N-(3-oxo-2,4,4a,5,6,7,8,8a-octahydro-1H-naphthalen-2-yl)carbamate
CID 19995537
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-[(3R)-2-oxo-6-propan-2-ylazepan-3-yl]carbamate
CID 23657246

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate (CID 84669461) is tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate is CC(C)(C)OC(=O)NC1CNCC1=O.
What is the InChIKey of tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate?
The InChIKey is AEHUQLIAGVWGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-10-5-7(6)12/h6,10H,4-5H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate?
tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-oxopyrrolidin-3-yl)carbamate is sourced from PubChem (CID 84669461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).