tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate

C14H24N2O2 — CID 14730288

IUPACtert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate
SMILESCN(C)CC#C[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-11-7-9-12(16)8-6-10-15(4)5/h12H,7,9-11H2,1-5H3/t12-/m0/s1
InChIKeyHLUZMEYMWCEXTQ-LBPRGKRZSA-N
MW252.36 g/mol
LogP1.95
Rot. Bonds1

About tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate (PubChem CID 14730288) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate
PubChem CID14730288
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Nametert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate
SMILESCN(C)CC#C[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-11-7-9-12(16)8-6-10-15(4)5/h12H,7,9-11H2,1-5H3/t12-/m0/s1
InChIKeyHLUZMEYMWCEXTQ-LBPRGKRZSA-N
XLogP1.95
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate (CID 14730288) is tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate is CN(C)CC#C[C@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate?
The InChIKey is HLUZMEYMWCEXTQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-14(2,3)18-13(17)16-11-7-9-12(16)8-6-10-15(4)5/h12H,7,9-11H2,1-5H3/t12-/m0/s1.
What are the key properties of tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate has a molecular weight of 252.36 g/mol, XLogP of 1.95, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 14730288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).