tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate

C15H25FN2O3 — CID 99824783

IUPACtert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC=CC[C@@H](C)NC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25FN2O3/c1-6-7-10(2)17-13(19)12-8-11(16)9-18(12)14(20)21-15(3,4)5/h6,10-12H,1,7-9H2,2-5H3,(H,17,19)/t10-,11+,12-/m1/s1
InChIKeyQUVQHIHAFXMZEH-GRYCIOLGSA-N
MW300.37 g/mol
LogP2.41
Rot. Bonds4

About tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate

tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 99824783) has the molecular formula C15H25FN2O3 and a molecular weight of 300.37 g/mol. Its IUPAC name is tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID99824783
Molecular FormulaC15H25FN2O3
Molecular Weight300.37 g/mol
Exact Mass300.18
IUPAC Nametert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESC=CC[C@@H](C)NC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25FN2O3/c1-6-7-10(2)17-13(19)12-8-11(16)9-18(12)14(20)21-15(3,4)5/h6,10-12H,1,7-9H2,2-5H3,(H,17,19)/t10-,11+,12-/m1/s1
InChIKeyQUVQHIHAFXMZEH-GRYCIOLGSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S,4R)-4-fluoro-2-[(2-fluoro-3-methylbut-2-enyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126653795
tert-butyl (2S,4R)-4-fluoro-2-(methylcarbamoyl)pyrrolidine-1-carboxylate
CID 126670545
tert-butyl N-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)pent-4-en-2-yl]carbamate
CID 138550310
tert-butyl (2S)-2-[[(Z)-1-fluorohex-3-enyl]carbamoyl]pyrrolidine-1-carboxylate
CID 163529487
tert-butyl (2R,3S)-3-fluoro-2-(1-fluoroethylcarbamoyl)pyrrolidine-1-carboxylate
CID 163568276
(1,1,1-trifluoro-2-methylpropan-2-yl) N-[2-[(2S)-2-[[(2S)-2-ethenylcyclopropyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 163645084
ethyl (2S,4R)-4-fluoro-2-[[(Z)-1-fluorohex-3-enyl]carbamoyl]pyrrolidine-1-carboxylate
CID 163713456
tert-butyl (4R)-4-fluoro-2-(pent-4-en-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 163914247
tert-butyl N-[(2R)-1-[(2S)-2-ethenyl-4,4-difluoropyrrolidin-1-yl]-1-oxopropan-2-yl]carbamate
CID 178127211
Tert-butyl 2-(prop-2-enylcarbamoyl)pyrrolidine-1-carboxylate
CID 110406564
tert-Butyl (2S,4S)-4-fluoro-2-{[(3-methylidenecyclobutyl)methyl]carbamoyl}pyrrolidine-1-carboxylate
CID 52180989
tert-butyl (2R,4S)-4-fluoro-2-[[(2S)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 99824782

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 99824783) is tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate is C=CC[C@@H](C)NC(=O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is QUVQHIHAFXMZEH-GRYCIOLGSA-N. The full InChI is InChI=1S/C15H25FN2O3/c1-6-7-10(2)17-13(19)12-8-11(16)9-18(12)14(20)21-15(3,4)5/h6,10-12H,1,7-9H2,2-5H3,(H,17,19)/t10-,11+,12-/m1/s1.
What are the key properties of tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 300.37 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-4-fluoro-2-[[(2R)-pent-4-en-2-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 99824783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).