tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate

C15H27FN2O3 — CID 171505452

IUPACtert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate
SMILESCC(C)C(=O)N(CCF)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27FN2O3/c1-11(2)13(19)18(9-7-16)12-6-8-17(10-12)14(20)21-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyNNPNIXWUODSUQU-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.45
Rot. Bonds4

About tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate

tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate (PubChem CID 171505452) has the molecular formula C15H27FN2O3 and a molecular weight of 302.39 g/mol. Its IUPAC name is tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate
PubChem CID171505452
Molecular FormulaC15H27FN2O3
Molecular Weight302.39 g/mol
Exact Mass302.20
IUPAC Nametert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate
SMILESCC(C)C(=O)N(CCF)C1CCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H27FN2O3/c1-11(2)13(19)18(9-7-16)12-6-8-17(10-12)14(20)21-15(3,4)5/h11-12H,6-10H2,1-5H3
InChIKeyNNPNIXWUODSUQU-UHFFFAOYSA-N
XLogP2.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3R)-3-[methyl(2-methylpropyl)amino]pyrrolidine-1-carboxylate
CID 68999630
tert-butyl 3-[[(2S)-2-aminopropanoyl]-methylamino]pyrrolidine-1-carboxylate
CID 66564091
tert-butyl 3-[(2-chloroacetyl)-propylamino]pyrrolidine-1-carboxylate
CID 138837244
tert-butyl 3-[2-methoxyethyl(methyl)amino]pyrrolidine-1-carboxylate;methanol
CID 145359890
tert-butyl 3-(4-amino-1-fluorobutan-2-yl)pyrrolidine-1-carboxylate
CID 115048626
tert-butyl 4-[2-aminopropanoyl(ethyl)amino]piperidine-1-carboxylate
CID 77143621
methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]carbamic acid
CID 77225686
tert-butyl 3-(1-aminopropan-2-yl)pyrrolidine-1-carboxylate
CID 82391180
tert-butyl (3R,4R)-4-fluoro-3-hydroxypiperidine-1-carboxylate
CID 67086934
tert-butyl (3S)-3-propan-2-ylpyrrolidine-1-carboxylate
CID 139452592
tert-butyl (3S)-3-(2,2-dimethylpropyl)pyrrolidine-1-carboxylate
CID 164775419
tert-butyl 3-[[[(2S)-2-amino-3-methylbutanoyl]-cyclopropylamino]methyl]pyrrolidine-1-carboxylate
CID 66564211

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate (CID 171505452) is tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate is CC(C)C(=O)N(CCF)C1CCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate?
The InChIKey is NNPNIXWUODSUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O3/c1-11(2)13(19)18(9-7-16)12-6-8-17(10-12)14(20)21-15(3,4)5/h11-12H,6-10H2,1-5H3.
What are the key properties of tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate?
tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate has a molecular weight of 302.39 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[2-fluoroethyl(2-methylpropanoyl)amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 171505452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).