tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate

C10H18N2O3 — CID 45092180

IUPACtert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
SMILESCN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)11-7-5-8(13)12(4)6-7/h7H,5-6H2,1-4H3,(H,11,14)/t7-/m0/s1
InChIKeyMXUJHKPLDXIMII-ZETCQYMHSA-N
MW214.26 g/mol
LogP0.74
Rot. Bonds1

About tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate (PubChem CID 45092180) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
PubChem CID45092180
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Nametert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
SMILESCN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O
InChIInChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)11-7-5-8(13)12(4)6-7/h7H,5-6H2,1-4H3,(H,11,14)/t7-/m0/s1
InChIKeyMXUJHKPLDXIMII-ZETCQYMHSA-N
XLogP0.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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4-[(1-methyl-5-oxopyrrolidin-3-yl)carbamoyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate (CID 45092180) is tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate is CN1C[C@@H](NC(=O)OC(C)(C)C)CC1=O.
What is the InChIKey of tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate?
The InChIKey is MXUJHKPLDXIMII-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)11-7-5-8(13)12(4)6-7/h7H,5-6H2,1-4H3,(H,11,14)/t7-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate has a molecular weight of 214.26 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 45092180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).