tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate

C9H16N2O3 — CID 71301758

IUPACtert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CNC(=O)C1
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-7(12)10-5-6/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)/t6-/m1/s1
InChIKeyPFHVTCWJHBHEFA-ZCFIWIBFSA-N
MW200.24 g/mol
LogP0.40
Rot. Bonds1

About tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 71301758) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
PubChem CID71301758
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Nametert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CNC(=O)C1
InChIInChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-7(12)10-5-6/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)/t6-/m1/s1
InChIKeyPFHVTCWJHBHEFA-ZCFIWIBFSA-N
XLogP0.40
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(4R,5S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopiperidin-4-yl]carbamic acid
CID 69017536
tert-butyl N-(6-methylidenepiperidin-3-yl)carbamate
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tert-butyl N-(3,5-dioxocyclohexyl)carbamate
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2-methyl-N-(5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 130778358
tert-butyl (3R)-5-oxopyrrolidine-3-carboxylate
CID 124575955
tert-butyl N-[5-(4-methylphenyl)-2-oxopiperidin-4-yl]carbamate
CID 153340105
tert-butyl N-(5-amino-1,2,3,4,5,6-hexahydropentalen-2-yl)carbamate
CID 25324803
3-(tert-butylamino)-N-(5-oxopyrrolidin-3-yl)propanamide
CID 106187499
tert-butyl N-[(3S)-4-(4-methoxyphenyl)-6-oxopiperidin-3-yl]carbamate
CID 134361248
[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]azanium
CID 7021549
1-amino-3-(5-oxopyrrolidin-3-yl)urea
CID 106197369
2-chloro-2,2-difluoro-N-(5-oxopyrrolidin-3-yl)acetamide
CID 130684227

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate (CID 71301758) is tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CNC(=O)C1.
What is the InChIKey of tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is PFHVTCWJHBHEFA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-9(2,3)14-8(13)11-6-4-7(12)10-5-6/h6H,4-5H2,1-3H3,(H,10,12)(H,11,13)/t6-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 200.24 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 71301758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).