benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

C27H33N3O6 — CID 11752301

IUPACbenzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)[C@@](C)(NC(=O)C(C)(C)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O6/c1-26(2,23(32)29-27(3,24(33)35-4)20-14-9-6-10-15-20)28-22(31)21-16-11-17-30(21)25(34)36-18-19-12-7-5-8-13-19/h5-10,12-15,21H,11,16-18H2,1-4H3,(H,28,31)(H,29,32)/t21-,27+/m1/s1
InChIKeyLOKZVLQXIFAGOG-ZBLYBZFDSA-N
MW495.58 g/mol
LogP2.89
Rot. Bonds8

About benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate

benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 11752301) has the molecular formula C27H33N3O6 and a molecular weight of 495.58 g/mol. Its IUPAC name is benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID11752301
Molecular FormulaC27H33N3O6
Molecular Weight495.58 g/mol
Exact Mass495.24
IUPAC Namebenzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)[C@@](C)(NC(=O)C(C)(C)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1
InChIInChI=1S/C27H33N3O6/c1-26(2,23(32)29-27(3,24(33)35-4)20-14-9-6-10-15-20)28-22(31)21-16-11-17-30(21)25(34)36-18-19-12-7-5-8-13-19/h5-10,12-15,21H,11,16-18H2,1-4H3,(H,28,31)(H,29,32)/t21-,27+/m1/s1
InChIKeyLOKZVLQXIFAGOG-ZBLYBZFDSA-N
XLogP2.89
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 11752301) is benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is COC(=O)[C@@](C)(NC(=O)C(C)(C)NC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is LOKZVLQXIFAGOG-ZBLYBZFDSA-N. The full InChI is InChI=1S/C27H33N3O6/c1-26(2,23(32)29-27(3,24(33)35-4)20-14-9-6-10-15-20)28-22(31)21-16-11-17-30(21)25(34)36-18-19-12-7-5-8-13-19/h5-10,12-15,21H,11,16-18H2,1-4H3,(H,28,31)(H,29,32)/t21-,27+/m1/s1.
What are the key properties of benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate?
benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 495.58 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[[1-[[(2S)-1-methoxy-1-oxo-2-phenylpropan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 11752301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).