tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate

C23H34N2O5 — CID 101052191

IUPACtert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)NC(=O)C(OC(=O)Cc1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H34N2O5/c1-22(2,3)24-20(27)19(29-18(26)15-16-11-8-7-9-12-16)17-13-10-14-25(17)21(28)30-23(4,5)6/h7-9,11-12,17,19H,10,13-15H2,1-6H3,(H,24,27)/t17-,19?/m0/s1
InChIKeyQXSIEBQTJBARAA-KKFHFHRHSA-N
MW418.53 g/mol
LogP3.46
Rot. Bonds5

About tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate (PubChem CID 101052191) has the molecular formula C23H34N2O5 and a molecular weight of 418.53 g/mol. Its IUPAC name is tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate
PubChem CID101052191
Molecular FormulaC23H34N2O5
Molecular Weight418.53 g/mol
Exact Mass418.25
IUPAC Nametert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)NC(=O)C(OC(=O)Cc1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C23H34N2O5/c1-22(2,3)24-20(27)19(29-18(26)15-16-11-8-7-9-12-16)17-13-10-14-25(17)21(28)30-23(4,5)6/h7-9,11-12,17,19H,10,13-15H2,1-6H3,(H,24,27)/t17-,19?/m0/s1
InChIKeyQXSIEBQTJBARAA-KKFHFHRHSA-N
XLogP3.46
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.53
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]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 2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate
CID 135003742
tert-butyl (2S)-2-[(S)-hydroxy-[2-(2-hydroxy-2-methylpropyl)phenyl]methyl]pyrrolidine-1-carboxylate
CID 175344091
tert-butyl (2S)-2-[(1R)-1-[benzyl(hydroxy)amino]propyl]pyrrolidine-1-carboxylate
CID 100985144
tert-butyl 2-(1-anilinoethyl)pyrrolidine-1-carboxylate
CID 102537736
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
tert-butyl (2R)-2-[(S)-[benzyl(hydroxy)amino]-phenylmethyl]pyrrolidine-1-carboxylate
CID 100985094
tert-butyl (2S)-2-(diphenoxymethyl)pyrrolidine-1-carboxylate
CID 67148408
tert-butyl (2S)-2-[(S)-amino(phenyl)methyl]pyrrolidine-1-carboxylate
CID 95479256
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid
CID 58913468
bicyclo[2.2.0]hexa-1,3,5-triene;tert-butyl 2-(2-oxo-1-phenoxypropyl)pyrrolidine-1-carboxylate
CID 68998686
tert-butyl 2-[1-ethylsulfanyl-3-oxo-3-(2-phenylethylamino)propyl]pyrrolidine-1-carboxylate
CID 22717788
(2S)-2-methoxy-2-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 86339939

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate (CID 101052191) is tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate is CC(C)(C)NC(=O)C(OC(=O)Cc1ccccc1)[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate?
The InChIKey is QXSIEBQTJBARAA-KKFHFHRHSA-N. The full InChI is InChI=1S/C23H34N2O5/c1-22(2,3)24-20(27)19(29-18(26)15-16-11-8-7-9-12-16)17-13-10-14-25(17)21(28)30-23(4,5)6/h7-9,11-12,17,19H,10,13-15H2,1-6H3,(H,24,27)/t17-,19?/m0/s1.
What are the key properties of tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate has a molecular weight of 418.53 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[2-(tert-butylamino)-2-oxo-1-(2-phenylacetyl)oxyethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 101052191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).