tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate

C22H34N2O5 — CID 51031819

IUPACtert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)C(=O)C[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C22H34N2O5/c1-15(20(27)16-10-7-6-8-11-16)23(5)19(26)14-18(25)17-12-9-13-24(17)21(28)29-22(2,3)4/h6-8,10-11,15,17-18,20,25,27H,9,12-14H2,1-5H3/t15-,17-,18+,20+/m1/s1
InChIKeyUGWLUPYLZVBWHX-LBKNJMOBSA-N
MW406.52 g/mol
LogP2.72
Rot. Bonds6

About tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate (PubChem CID 51031819) has the molecular formula C22H34N2O5 and a molecular weight of 406.52 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate
PubChem CID51031819
Molecular FormulaC22H34N2O5
Molecular Weight406.52 g/mol
Exact Mass406.25
IUPAC Nametert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate
SMILESC[C@H]([C@H](O)c1ccccc1)N(C)C(=O)C[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C22H34N2O5/c1-15(20(27)16-10-7-6-8-11-16)23(5)19(26)14-18(25)17-12-9-13-24(17)21(28)29-22(2,3)4/h6-8,10-11,15,17-18,20,25,27H,9,12-14H2,1-5H3/t15-,17-,18+,20+/m1/s1
InChIKeyUGWLUPYLZVBWHX-LBKNJMOBSA-N
XLogP2.72
TPSA90.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.52
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

tert-butyl (4R)-4-[(1S)-1-hydroxy-3-[[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 177409416
tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate
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tert-butyl (2S)-2-[(S)-amino(phenyl)methyl]pyrrolidine-1-carboxylate
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tert-butyl (2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidine-1-carboxylate
CID 102477716
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tert-butyl (2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
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CID 77223503
tert-butyl 2-(1-anilinoethyl)pyrrolidine-1-carboxylate
CID 102537736
tert-butyl (2S)-2-[(1S)-1-hydroxy-2-[methyl(diphenyl)silyl]ethyl]piperidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate (CID 51031819) is tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate is C[C@H]([C@H](O)c1ccccc1)N(C)C(=O)C[C@H](O)[C@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate?
The InChIKey is UGWLUPYLZVBWHX-LBKNJMOBSA-N. The full InChI is InChI=1S/C22H34N2O5/c1-15(20(27)16-10-7-6-8-11-16)23(5)19(26)14-18(25)17-12-9-13-24(17)21(28)29-22(2,3)4/h6-8,10-11,15,17-18,20,25,27H,9,12-14H2,1-5H3/t15-,17-,18+,20+/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate has a molecular weight of 406.52 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 51031819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).