tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate

C10H18N2O3 — CID 105467597

IUPACtert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCNC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-7-4-5-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyIFMNYUAZXMMQSV-UHFFFAOYSA-N
MW214.26 g/mol
LogP0.65
Rot. Bonds2

About tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate

tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate (PubChem CID 105467597) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate
PubChem CID105467597
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCNC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-7-4-5-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14)
InChIKeyIFMNYUAZXMMQSV-UHFFFAOYSA-N
XLogP0.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[(3S)-2-oxoazetidin-3-yl]methyl]carbamate
CID 125489322
tert-butyl N-[2-oxo-2-[[1-oxo-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]ethyl]carbamate
CID 166157042
tert-butyl N-[(2S)-2-[(3R)-2-oxopyrrolidin-3-yl]butyl]carbamate
CID 23245298
tert-butyl N-[2-oxo-3-[(2-oxopyrrolidin-3-yl)methyl-propanoylamino]propyl]carbamate
CID 165399236
tert-butyl N-[(2S)-3,4,4-trihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]carbamate
CID 166936770
ethane;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxopyrrolidin-3-yl)propanoate
CID 142046248
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
CID 22668023
tert-butyl N-[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pent-4-en-2-yl]carbamate
CID 162695922
(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoic acid
CID 91506525
tert-butyl N-[3-hydroxy-4-(methylamino)-4-oxo-1-(2-oxopyrrolidin-3-yl)butan-2-yl]carbamate
CID 157044319
tert-butyl N-[2-(3-oxopiperazin-2-yl)ethyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate (CID 105467597) is tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate is CC(C)(C)OC(=O)NCC1CCNC1=O.
What is the InChIKey of tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate?
The InChIKey is IFMNYUAZXMMQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-7-4-5-11-8(7)13/h7H,4-6H2,1-3H3,(H,11,13)(H,12,14).
What are the key properties of tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate?
tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate has a molecular weight of 214.26 g/mol, XLogP of 0.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-oxopyrrolidin-3-yl)methyl]carbamate is sourced from PubChem (CID 105467597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).