tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate

C13H26N2O2 — CID 59986888

IUPACtert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)15-8-7-10(9-15)14-11(16)17-13(4,5)6/h10H,7-9H2,1-6H3,(H,14,16)/t10-/m1/s1
InChIKeyOKKYWGYWWPLMQF-SNVBAGLBSA-N
MW242.36 g/mol
LogP2.38
Rot. Bonds1

About tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate

tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate (PubChem CID 59986888) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
PubChem CID59986888
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN(C(C)(C)C)C1
InChIInChI=1S/C13H26N2O2/c1-12(2,3)15-8-7-10(9-15)14-11(16)17-13(4,5)6/h10H,7-9H2,1-6H3,(H,14,16)/t10-/m1/s1
InChIKeyOKKYWGYWWPLMQF-SNVBAGLBSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 89460397
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tert-butyl N-(1-methanidylpyrrolidin-3-yl)carbamate
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tert-butyl N-(1-acetylpyrrolidin-3-yl)carbamate
CID 20716164
tert-butyl N-(1-cyclopentylpyrrolidin-3-yl)carbamate
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tert-butyl N-(1-methylpiperidin-4-yl)carbamate;ethane
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tert-butyl N-[(3S)-1-(oxetan-3-yl)pyrrolidin-3-yl]carbamate
CID 56604508
tert-butyl N-[(3R)-1-propylpyrrolidin-3-yl]carbamate
CID 59535746
tert-butyl N-[(3S)-1-(2-hydroxyethyl)pyrrolidin-3-yl]carbamate
CID 66565985
N-[(3R)-1-tert-butylpyrrolidin-3-yl]-2,2,2-trifluoroacetamide
CID 90438031
4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
CID 18784768
tert-butyl N-(1-hydroxyazepan-3-yl)carbamate
CID 70285505

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate (CID 59986888) is tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN(C(C)(C)C)C1.
What is the InChIKey of tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate?
The InChIKey is OKKYWGYWWPLMQF-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-12(2,3)15-8-7-10(9-15)14-11(16)17-13(4,5)6/h10H,7-9H2,1-6H3,(H,14,16)/t10-/m1/s1.
What are the key properties of tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate?
tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R)-1-tert-butylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 59986888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).