tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate

C18H34N2O2 — CID 107244393

IUPACtert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CCNC1CCCC1(C)C
InChIInChI=1S/C18H34N2O2/c1-17(2,3)22-16(21)20-13-7-8-14(20)10-12-19-15-9-6-11-18(15,4)5/h14-15,19H,6-13H2,1-5H3
InChIKeyUCCHVZFQTPJLHU-UHFFFAOYSA-N
MW310.48 g/mol
LogP3.94
Rot. Bonds4

About tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate (PubChem CID 107244393) has the molecular formula C18H34N2O2 and a molecular weight of 310.48 g/mol. Its IUPAC name is tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate
PubChem CID107244393
Molecular FormulaC18H34N2O2
Molecular Weight310.48 g/mol
Exact Mass310.26
IUPAC Nametert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1CCNC1CCCC1(C)C
InChIInChI=1S/C18H34N2O2/c1-17(2,3)22-16(21)20-13-7-8-14(20)10-12-19-15-9-6-11-18(15,4)5/h14-15,19H,6-13H2,1-5H3
InChIKeyUCCHVZFQTPJLHU-UHFFFAOYSA-N
XLogP3.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.48
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]propyl]pyrrolidine-1-carboxylate
CID 103738424
tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244337
tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244434
tert-butyl 2-[2-(2-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244617
tert-butyl 2-[[(4,4-dimethylcycloheptyl)amino]methyl]pyrrolidine-1-carboxylate
CID 107248940
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl 2-[2-[(3-methoxy-3-methylbutyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244579
tert-butyl 2-[[(3,3-dimethylcyclohexyl)amino]methyl]pyrrolidine-1-carboxylate
CID 106639036
tert-butyl 2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 13113449
tert-butyl (2R)-2-(2-oxopropyl)pyrrolidine-1-carboxylate
CID 96581061
tert-butyl 2-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244402

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate (CID 107244393) is tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1CCNC1CCCC1(C)C.
What is the InChIKey of tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is UCCHVZFQTPJLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O2/c1-17(2,3)22-16(21)20-13-7-8-14(20)10-12-19-15-9-6-11-18(15,4)5/h14-15,19H,6-13H2,1-5H3.
What are the key properties of tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 310.48 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107244393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).