tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate

C17H32N2O2 — CID 103782675

IUPACtert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCC1)NCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-13(11-14-7-5-8-14)18-12-15-9-6-10-19(15)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyDMWDNJVNCSOLQF-UHFFFAOYSA-N
MW296.45 g/mol
LogP3.55
Rot. Bonds5

About tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate

tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate (PubChem CID 103782675) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
PubChem CID103782675
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nametert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate
SMILESCC(CC1CCC1)NCC1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C17H32N2O2/c1-13(11-14-7-5-8-14)18-12-15-9-6-10-19(15)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3
InChIKeyDMWDNJVNCSOLQF-UHFFFAOYSA-N
XLogP3.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-[2-(1-cyclopropylpropan-2-ylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244471
tert-butyl 2-[2-[(1-methylpiperidin-3-yl)methylamino]propyl]piperidine-1-carboxylate
CID 113248692
tert-butyl (2R)-2-[(propan-2-ylamino)methyl]piperidine-1-carboxylate
CID 86329026
tert-butyl 2-[[[1-(methylamino)-1-oxopropan-2-yl]amino]methyl]pyrrolidine-1-carboxylate
CID 106638139
tert-butyl 2-[2-[(3-hydroxycyclopentyl)methylamino]propyl]pyrrolidine-1-carboxylate
CID 103275825
tert-butyl 2-[(5-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106632952
tert-butyl 2-[2-(oxolan-3-ylmethylamino)propyl]pyrrolidine-1-carboxylate
CID 103723631
tert-butyl 2-[(hex-5-en-2-ylamino)methyl]piperidine-1-carboxylate
CID 107246799
tert-butyl 2-[2-(2-hydroxypropylamino)propyl]pyrrolidine-1-carboxylate
CID 79540136
tert-butyl 2-[(3-ethylpentan-2-ylamino)methyl]pyrrolidine-1-carboxylate
CID 106638482
tert-butyl 2-[(4-methylhexan-2-ylamino)methyl]piperidine-1-carboxylate
CID 106634057
tert-butyl 2-[2-[[2-(dimethylamino)-2-methylpropyl]amino]propyl]pyrrolidine-1-carboxylate
CID 103723580

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate (CID 103782675) is tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate is CC(CC1CCC1)NCC1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate?
The InChIKey is DMWDNJVNCSOLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-13(11-14-7-5-8-14)18-12-15-9-6-10-19(15)16(20)21-17(2,3)4/h13-15,18H,5-12H2,1-4H3.
What are the key properties of tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate?
tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate has a molecular weight of 296.45 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(1-cyclobutylpropan-2-ylamino)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 103782675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).