tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane

C17H34N2O3 — CID 145162230

IUPACtert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane
SMILESCC.CCC(CC)C(=O)NC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3.C2H6/c1-6-11(7-2)13(18)16-12-8-9-17(10-12)14(19)20-15(3,4)5;1-2/h11-12H,6-10H2,1-5H3,(H,16,18);1-2H3
InChIKeySCPJFMNMDZWGHK-UHFFFAOYSA-N
MW314.47 g/mol
LogP3.57
Rot. Bonds4

About tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane

tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane (PubChem CID 145162230) has the molecular formula C17H34N2O3 and a molecular weight of 314.47 g/mol. Its IUPAC name is tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane.

Molecular Properties

Compound Nametert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane
PubChem CID145162230
Molecular FormulaC17H34N2O3
Molecular Weight314.47 g/mol
Exact Mass314.26
IUPAC Nametert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane
SMILESCC.CCC(CC)C(=O)NC1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H28N2O3.C2H6/c1-6-11(7-2)13(18)16-12-8-9-17(10-12)14(19)20-15(3,4)5;1-2/h11-12H,6-10H2,1-5H3,(H,16,18);1-2H3
InChIKeySCPJFMNMDZWGHK-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-(dimethylcarbamoylamino)pyrrolidine-1-carboxylate
CID 129379096
tert-butyl 3-(2,2-dimethylpropanoylamino)pyrrolidine-1-carboxylate
CID 171505314
tert-butyl 3-[2-(dimethylamino)propylamino]pyrrolidine-1-carboxylate
CID 81462982
tert-butyl 3-[[1-oxo-1-(propylamino)propan-2-yl]amino]pyrrolidine-1-carboxylate
CID 80718559
tert-butyl (3R)-3-[(N'-methylcarbamimidoyl)amino]pyrrolidine-1-carboxylate
CID 167022048
tert-butyl 3-(1-aminopropan-2-ylamino)pyrrolidine-1-carboxylate
CID 107239410
tert-butyl 3-[(1-ethylpiperidin-4-yl)amino]pyrrolidine-1-carboxylate
CID 81338126
tert-butyl 3-[[2-(hydroxymethyl)-2-methylbutyl]amino]pyrrolidine-1-carboxylate
CID 103828072
tert-butyl (3R)-3-(oxan-4-ylcarbamoylamino)pyrrolidine-1-carboxylate
CID 97212425
tert-butyl 3-[[ethyl(methyl)carbamoyl]amino]piperidine-1-carboxylate
CID 126812951
tert-butyl (3S)-3-[(1S)-1-hydroxypropyl]pyrrolidine-1-carboxylate
CID 58104614
tert-butyl 3-[(1-methoxy-1-oxopropan-2-yl)amino]pyrrolidine-1-carboxylate
CID 79040519

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane?
The IUPAC name of tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane (CID 145162230) is tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane.
What is the SMILES notation for tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane?
The canonical SMILES for tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane is CC.CCC(CC)C(=O)NC1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane?
The InChIKey is SCPJFMNMDZWGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3.C2H6/c1-6-11(7-2)13(18)16-12-8-9-17(10-12)14(19)20-15(3,4)5;1-2/h11-12H,6-10H2,1-5H3,(H,16,18);1-2H3.
What are the key properties of tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane?
tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane has a molecular weight of 314.47 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(2-ethylbutanoylamino)pyrrolidine-1-carboxylate;ethane is sourced from PubChem (CID 145162230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).