tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate

C14H24N2O2 — CID 168977654

IUPACtert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CCNC1)C12CC(C1)C2
InChIInChI=1S/C14H24N2O2/c1-13(2,3)18-12(17)16(11-4-5-15-9-11)14-6-10(7-14)8-14/h10-11,15H,4-9H2,1-3H3
InChIKeyHJGHSLVHOKWYIP-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.14
Rot. Bonds2

About tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate

tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate (PubChem CID 168977654) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate
PubChem CID168977654
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nametert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate
SMILESCC(C)(C)OC(=O)N(C1CCNC1)C12CC(C1)C2
InChIInChI=1S/C14H24N2O2/c1-13(2,3)18-12(17)16(11-4-5-15-9-11)14-6-10(7-14)8-14/h10-11,15H,4-9H2,1-3H3
InChIKeyHJGHSLVHOKWYIP-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(1-methylcyclopropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 167504165
tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034
tert-butyl N-propan-2-yl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 66569336
tert-butyl N-(oxetan-3-yl)-N-pyrrolidin-3-ylcarbamate
CID 67191248
tert-butyl N-(2-fluoroethyl)-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 87304052
tert-butyl N-pyrrolidin-3-yl-N-[4-(trifluoromethyl)phenyl]carbamate
CID 156774724
tert-butyl N-(3-fluoropropyl)-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 58365097
tert-butyl N-phenyl-N-[(3S)-pyrrolidin-3-yl]carbamate
CID 129353875
tert-butyl N-methyl-N-(3-methylpiperidin-4-yl)carbamate
CID 53415355
tert-butyl N-methyl-N-[(3R,4R)-4-methylpiperidin-3-yl]carbamate
CID 58332169
tert-butyl pyrrolidine-3-carboxylate;hydrochloride
CID 86346376
tert-butyl N-(3-azabicyclo[3.3.1]nonan-1-yl)-N-methylcarbamate
CID 154856942

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate?
The IUPAC name of tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate (CID 168977654) is tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate.
What is the SMILES notation for tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate?
The canonical SMILES for tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate is CC(C)(C)OC(=O)N(C1CCNC1)C12CC(C1)C2.
What is the InChIKey of tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate?
The InChIKey is HJGHSLVHOKWYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-13(2,3)18-12(17)16(11-4-5-15-9-11)14-6-10(7-14)8-14/h10-11,15H,4-9H2,1-3H3.
What are the key properties of tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate?
tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate has a molecular weight of 252.36 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-bicyclo[1.1.1]pentanyl)-N-pyrrolidin-3-ylcarbamate is sourced from PubChem (CID 168977654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).