tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate

C17H24FN3O3 — CID 96516282

IUPACtert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N[C@H](C(N)=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H24FN3O3/c1-17(2,3)24-16(23)21-9-8-13(10-21)20-14(15(19)22)11-4-6-12(18)7-5-11/h4-7,13-14,20H,8-10H2,1-3H3,(H2,19,22)/t13-,14+/m1/s1
InChIKeyHGMIXWGCQZYMET-KGLIPLIRSA-N
MW337.40 g/mol
LogP1.95
Rot. Bonds4

About tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate

tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate (PubChem CID 96516282) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate
PubChem CID96516282
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC Nametert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC[C@@H](N[C@H](C(N)=O)c2ccc(F)cc2)C1
InChIInChI=1S/C17H24FN3O3/c1-17(2,3)24-16(23)21-9-8-13(10-21)20-14(15(19)22)11-4-6-12(18)7-5-11/h4-7,13-14,20H,8-10H2,1-3H3,(H2,19,22)/t13-,14+/m1/s1
InChIKeyHGMIXWGCQZYMET-KGLIPLIRSA-N
XLogP1.95
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-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 3-[[1-(4-fluorophenyl)-1-hydroxypropan-2-yl]amino]pyrrolidine-1-carboxylate
CID 75471872
tert-butyl (3S)-3-(4-fluoroanilino)pyrrolidine-1-carboxylate
CID 97056055
tert-butyl 3-[1-(3,5-difluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103783496
tert-butyl 4-[[(1R)-1-(4-fluorophenyl)-2-hydroxyethyl]amino]piperidine-1-carboxylate
CID 54485837
tert-butyl 3-[1-(3-fluorophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711103
tert-butyl 4-[(R)-amino-(4-fluorophenyl)methyl]piperidine-1-carboxylate
CID 95503611
tert-butyl 3-[1-(4-bromophenyl)ethylamino]pyrrolidine-1-carboxylate
CID 103711104
tert-butyl 3-[(1-methoxy-1-oxopropan-2-yl)amino]pyrrolidine-1-carboxylate
CID 79040519
tert-butyl 4-[3-(4-fluorophenyl)prop-2-enoylamino]piperidine-1-carboxylate
CID 76868532
tert-butyl 4-[(2S)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926592
tert-butyl 4-[(2R)-2-amino-2-(4-fluorophenyl)ethyl]piperidine-1-carboxylate
CID 124926593
tert-butyl 3-[1-(3,4-dimethylphenyl)ethylamino]pyrrolidine-1-carboxylate
CID 107239352

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate (CID 96516282) is tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC[C@@H](N[C@H](C(N)=O)c2ccc(F)cc2)C1.
What is the InChIKey of tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate?
The InChIKey is HGMIXWGCQZYMET-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-17(2,3)24-16(23)21-9-8-13(10-21)20-14(15(19)22)11-4-6-12(18)7-5-11/h4-7,13-14,20H,8-10H2,1-3H3,(H2,19,22)/t13-,14+/m1/s1.
What are the key properties of tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate?
tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate has a molecular weight of 337.40 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[[(1S)-2-amino-1-(4-fluorophenyl)-2-oxoethyl]amino]pyrrolidine-1-carboxylate is sourced from PubChem (CID 96516282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).