benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate

C27H28N2O3 — CID 154612158

IUPACbenzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate
SMILESO=C(N[C@H](C(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C27H28N2O3/c30-26(23-17-10-18-28-23)29-25(27(31)32-19-20-11-4-1-5-12-20)24(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-25,28H,10,17-19H2,(H,29,30)/t23-,25-/m0/s1
InChIKeyZJOFWQCLYPIWOM-ZCYQVOJMSA-N
MW428.53 g/mol
LogP3.80
Rot. Bonds8

About benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate

benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate (PubChem CID 154612158) has the molecular formula C27H28N2O3 and a molecular weight of 428.53 g/mol. Its IUPAC name is benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate.

Molecular Properties

Compound Namebenzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate
PubChem CID154612158
Molecular FormulaC27H28N2O3
Molecular Weight428.53 g/mol
Exact Mass428.21
IUPAC Namebenzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate
SMILESO=C(N[C@H](C(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)[C@@H]1CCCN1
InChIInChI=1S/C27H28N2O3/c30-26(23-17-10-18-28-23)29-25(27(31)32-19-20-11-4-1-5-12-20)24(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-25,28H,10,17-19H2,(H,29,30)/t23-,25-/m0/s1
InChIKeyZJOFWQCLYPIWOM-ZCYQVOJMSA-N
XLogP3.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 174989409
benzyl 3-(pyrrolidine-2-carbonylamino)butanoate
CID 18339709
benzyl (3S)-2-hydroxy-3-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoate
CID 54550045
benzyl (4R)-5-amino-5-oxo-4-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoate
CID 22814959
(2S)-N-benzhydrylpyrrolidine-2-carboxamide
CID 10663256
(2S)-N-[(S)-hydroxy(phenyl)methyl]pyrrolidine-2-carboxamide
CID 101392822
N-[(1R)-2-hydroxy-1-phenylethyl]pyrrolidine-2-carboxamide
CID 107863240
benzyl 3-[3-(pyrrolidine-2-carbonylamino)propanoylamino]propanoate
CID 129137633
(2S,3R)-3-phenylmethoxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoic acid;propylazanide;hydrochloride
CID 131724055
N-[(1S)-1-phenylethyl]piperidine-2-carboxamide
CID 15445575
N-(1-phenylethyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119261657
methyl 3-phenyl-2-(piperidine-2-carbonylamino)propanoate;hydrochloride
CID 119290974

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate?
The IUPAC name of benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate (CID 154612158) is benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate.
What is the SMILES notation for benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate?
The canonical SMILES for benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate is O=C(N[C@H](C(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1)[C@@H]1CCCN1.
What is the InChIKey of benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate?
The InChIKey is ZJOFWQCLYPIWOM-ZCYQVOJMSA-N. The full InChI is InChI=1S/C27H28N2O3/c30-26(23-17-10-18-28-23)29-25(27(31)32-19-20-11-4-1-5-12-20)24(21-13-6-2-7-14-21)22-15-8-3-9-16-22/h1-9,11-16,23-25,28H,10,17-19H2,(H,29,30)/t23-,25-/m0/s1.
What are the key properties of benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate?
benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate has a molecular weight of 428.53 g/mol, XLogP of 3.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-3,3-diphenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoate is sourced from PubChem (CID 154612158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).