tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate

C15H28FN3O5 — CID 142672817

IUPACtert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate
SMILESCCOC(C)OC(/C(N)=N/O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28FN3O5/c1-6-22-9(2)23-12(13(17)18-21)11-7-10(16)8-19(11)14(20)24-15(3,4)5/h9-12,21H,6-8H2,1-5H3,(H2,17,18)/t9?,10-,11+,12?/m0/s1
InChIKeyRPDZYFHUGVYTSU-LVFLEHKBSA-N
MW349.40 g/mol
LogP1.85
Rot. Bonds6

About tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate

tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate (PubChem CID 142672817) has the molecular formula C15H28FN3O5 and a molecular weight of 349.40 g/mol. Its IUPAC name is tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate
PubChem CID142672817
Molecular FormulaC15H28FN3O5
Molecular Weight349.40 g/mol
Exact Mass349.20
IUPAC Nametert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate
SMILESCCOC(C)OC(/C(N)=N/O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H28FN3O5/c1-6-22-9(2)23-12(13(17)18-21)11-7-10(16)8-19(11)14(20)24-15(3,4)5/h9-12,21H,6-8H2,1-5H3,(H2,17,18)/t9?,10-,11+,12?/m0/s1
InChIKeyRPDZYFHUGVYTSU-LVFLEHKBSA-N
XLogP1.85
TPSA106.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate 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 (2R,4S)-2-[cyano(1-ethoxyethoxy)methyl]-4-fluoropyrrolidine-1-carboxylate
CID 90821226
tert-butyl (2S,4S)-4-fluoro-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 129370244
tert-butyl 4-fluoro-2-(1-hydroxyethyl)pyrrolidine-1-carboxylate
CID 102537964
tert-butyl 2-[1-ethoxyethoxy-[5-(2-methylbutan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-fluoropyrrolidine-1-carboxylate
CID 142672800
tert-butyl (2S,4S)-2-carbamothioyl-4-fluoropyrrolidine-1-carboxylate
CID 88899008
tert-butyl (2S)-4-fluoro-2-methylpyrrolidine-1-carboxylate
CID 118296593
tert-butyl (4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 154003917
tert-butyl (2R,4S)-4-fluoro-2-formylpyrrolidine-1-carboxylate
CID 86614993
tert-butyl 2-propan-2-ylaziridine-1-carboxylate
CID 73192324
(4S)-4-fluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 24903603
tert-butyl 4-fluoro-2-(methoxymethyl)pyrrolidine-1-carboxylate
CID 25001212
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 (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate (CID 142672817) is tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate is CCOC(C)OC(/C(N)=N/O)[C@H]1C[C@H](F)CN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate?
The InChIKey is RPDZYFHUGVYTSU-LVFLEHKBSA-N. The full InChI is InChI=1S/C15H28FN3O5/c1-6-22-9(2)23-12(13(17)18-21)11-7-10(16)8-19(11)14(20)24-15(3,4)5/h9-12,21H,6-8H2,1-5H3,(H2,17,18)/t9?,10-,11+,12?/m0/s1.
What are the key properties of tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate?
tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate has a molecular weight of 349.40 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R,4S)-2-[(2Z)-2-amino-1-(1-ethoxyethoxy)-2-hydroxyiminoethyl]-4-fluoropyrrolidine-1-carboxylate is sourced from PubChem (CID 142672817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).