tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate

C16H30N2O2 — CID 107244434

IUPACtert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate
SMILESCC1CC(NCCC2CCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-12-10-13(11-12)17-8-7-14-6-5-9-18(14)15(19)20-16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyOZNIFTPCFPPYKS-UHFFFAOYSA-N
MW282.43 g/mol
LogP3.16
Rot. Bonds4

About tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate

tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate (PubChem CID 107244434) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate
PubChem CID107244434
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Nametert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate
SMILESCC1CC(NCCC2CCCN2C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O2/c1-12-10-13(11-12)17-8-7-14-6-5-9-18(14)15(19)20-16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyOZNIFTPCFPPYKS-UHFFFAOYSA-N
XLogP3.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[2-(cyclohexylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244337
tert-butyl 2-[[(3,5-dimethylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 106634012
tert-butyl (2R)-2-[3-(cyclopropylamino)propyl]piperidine-1-carboxylate
CID 97173194
3-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 10824137
tert-butyl 2-[2-[(2,2-dimethylcyclopentyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244393
tert-butyl 2-[2-(2-cyclohexylethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244617
tert-butyl 2-(methylaminomethyl)pyrrolidine-1-carboxylate;ethane
CID 166086054
tert-butyl 2-[2-[(3-methoxy-3-methylbutyl)amino]ethyl]pyrrolidine-1-carboxylate
CID 107244579
tert-butyl (2S)-2-(4-chloro-3-oxobutyl)pyrrolidine-1-carboxylate
CID 58574825
tert-butyl 2-[(cyclooctylamino)methyl]pyrrolidine-1-carboxylate
CID 106636324
tert-butyl (2S)-2-[[(2-chloroacetyl)amino]methyl]pyrrolidine-1-carboxylate
CID 59215816
tert-butyl 2-[2-(methanesulfonamido)ethyl]piperidine-1-carboxylate
CID 65142558

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate (CID 107244434) is tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate is CC1CC(NCCC2CCCN2C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate?
The InChIKey is OZNIFTPCFPPYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-12-10-13(11-12)17-8-7-14-6-5-9-18(14)15(19)20-16(2,3)4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[2-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate has a molecular weight of 282.43 g/mol, XLogP of 3.16, 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-[(3-methylcyclobutyl)amino]ethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 107244434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).