tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate

C16H31N3O2 — CID 97056058

IUPACtert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](NCCN2CCCCC2)C1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-11-7-14(13-19)17-8-12-18-9-5-4-6-10-18/h14,17H,4-13H2,1-3H3/t14-/m1/s1
InChIKeyMLNWEFINFSSSJQ-CQSZACIVSA-N
MW297.44 g/mol
LogP2.07
Rot. Bonds4

About tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate

tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate (PubChem CID 97056058) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate
PubChem CID97056058
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Nametert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](NCCN2CCCCC2)C1
InChIInChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-11-7-14(13-19)17-8-12-18-9-5-4-6-10-18/h14,17H,4-13H2,1-3H3/t14-/m1/s1
InChIKeyMLNWEFINFSSSJQ-CQSZACIVSA-N
XLogP2.07
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-(2-pyrrolidin-1-ylethylamino)azetidine-1-carboxylate
CID 63303169
tert-butyl 3-[(2-oxo-2-piperidin-1-ylethyl)amino]pyrrolidine-1-carboxylate
CID 103801756
tert-butyl 3-(cycloheptylmethylamino)pyrrolidine-1-carboxylate
CID 107239420
tert-butyl 4-(2-morpholin-4-ylethylamino)piperidine-1-carboxylate
CID 103618127
tert-butyl (3R)-3-(3-cyclohexyloxypropylamino)pyrrolidine-1-carboxylate
CID 97236036
tert-butyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]pyrrolidine-1-carboxylate
CID 130163280
tert-butyl 3-(5-hydroxypentylamino)pyrrolidine-1-carboxylate
CID 107302933
tert-butyl 3-(2-thiomorpholin-4-ylethylamino)azetidine-1-carboxylate
CID 102672860
tert-butyl 3-[(2-methylcyclopentyl)methylamino]pyrrolidine-1-carboxylate
CID 107416977
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl 3-[2-(2-amino-2-oxoethoxy)ethylamino]pyrrolidine-1-carboxylate
CID 106235434

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate (CID 97056058) is tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](NCCN2CCCCC2)C1.
What is the InChIKey of tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate?
The InChIKey is MLNWEFINFSSSJQ-CQSZACIVSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-16(2,3)21-15(20)19-11-7-14(13-19)17-8-12-18-9-5-4-6-10-18/h14,17H,4-13H2,1-3H3/t14-/m1/s1.
What are the key properties of tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate has a molecular weight of 297.44 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-(2-piperidin-1-ylethylamino)pyrrolidine-1-carboxylate is sourced from PubChem (CID 97056058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).