tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate

C10H18FN3O3 — CID 90181745

IUPACtert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)NN
InChIInChI=1S/C10H18FN3O3/c1-10(2,3)17-9(16)14-5-6(11)4-7(14)8(15)13-12/h6-7H,4-5,12H2,1-3H3,(H,13,15)/t6-,7-/m0/s1
InChIKeyQXKYYQNHVVYPGS-BQBZGAKWSA-N
MW247.27 g/mol
LogP0.32
Rot. Bonds1

About tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate

tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate (PubChem CID 90181745) has the molecular formula C10H18FN3O3 and a molecular weight of 247.27 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
PubChem CID90181745
Molecular FormulaC10H18FN3O3
Molecular Weight247.27 g/mol
Exact Mass247.13
IUPAC Nametert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)NN
InChIInChI=1S/C10H18FN3O3/c1-10(2,3)17-9(16)14-5-6(11)4-7(14)8(15)13-12/h6-7H,4-5,12H2,1-3H3,(H,13,15)/t6-,7-/m0/s1
InChIKeyQXKYYQNHVVYPGS-BQBZGAKWSA-N
XLogP0.32
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2S,4S)-2-carbamothioyl-4-fluoropyrrolidine-1-carboxylate
CID 88899008
1-O-tert-butyl 2-O-methyl (4R)-4-fluoropyrrolidine-1,2-dicarboxylate
CID 68725739
(4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 24903603
tert-butyl (2R)-2-(hydrazinecarbonyl)azetidine-1-carboxylate
CID 129408107
tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
CID 118296593
cyclohexanamine;(2S,4R)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 53251305
tert-butyl (2S,4S)-4-[bis[(2-methylpropan-2-yl)oxycarbonylamino]methylideneamino]-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
CID 90181738
tert-butyl 4-fluoro-2-[(6-methyl-2-pyridinyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126615712
tert-butyl (2S,4R)-4-fluoro-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 126642847
tert-butyl (2R,4S)-2-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl]-4-fluoropyrrolidine-1-carboxylate
CID 99825578
tert-butyl (2S,4R)-2-[[(1S,2R)-2-(4-chlorophenyl)cyclopropyl]carbamoyl]-4-fluoropyrrolidine-1-carboxylate
CID 90019724
1-O-tert-butyl 2-O-ethyl 5-fluoropiperidine-1,2-dicarboxylate
CID 83855010

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate (CID 90181745) is tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](F)C[C@H]1C(=O)NN.
What is the InChIKey of tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate?
The InChIKey is QXKYYQNHVVYPGS-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H18FN3O3/c1-10(2,3)17-9(16)14-5-6(11)4-7(14)8(15)13-12/h6-7H,4-5,12H2,1-3H3,(H,13,15)/t6-,7-/m0/s1.
What are the key properties of tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate has a molecular weight of 247.27 g/mol, XLogP of 0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-fluoro-2-(hydrazinecarbonyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 90181745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).