ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate

C22H26N2O3 — CID 12030808

IUPACethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C22H26N2O3/c1-3-27-22(26)19-14-18(20(24-19)17-12-8-5-9-13-17)21(25)23-15(2)16-10-6-4-7-11-16/h4-13,15,18-20,24H,3,14H2,1-2H3,(H,23,25)/t15-,18+,19+,20+/m0/s1
InChIKeyKHZFVVOCBZPCBZ-YGWPLHOASA-N
MW366.46 g/mol
LogP3.15
Rot. Bonds6

About ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate

ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate (PubChem CID 12030808) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
PubChem CID12030808
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC Nameethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccccc2)[C@@H](c2ccccc2)N1
InChIInChI=1S/C22H26N2O3/c1-3-27-22(26)19-14-18(20(24-19)17-12-8-5-9-13-17)21(25)23-15(2)16-10-6-4-7-11-16/h4-13,15,18-20,24H,3,14H2,1-2H3,(H,23,25)/t15-,18+,19+,20+/m0/s1
InChIKeyKHZFVVOCBZPCBZ-YGWPLHOASA-N
XLogP3.15
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate with MolForge

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Related Compounds

1-(5-Benzoylamino-4-oxo-6-phenyl-hexanoyl)-pyrrolidine-2-carboxylic acid methyl ester
CID 44386281
1,5-Diethyl-3-(3-fluoro-phenyl)-4,6-dioxo-octahydro-pyrrolo[3,4-c]pyrrole-1-carboxylic acid ethyl ester
CID 644581
1-Benzyl-5-ethyl-3-(2-fluoro-phenyl)-4,6-dioxo-octahydro-pyrrolo[3,4-c]pyrrole-1-carboxylic acid ethyl ester
CID 649253
Ethyl 5-oxo-3-phenylpyrrolidine-2-carboxylate
CID 3146745
1-Benzyl-3-(4-fluoro-phenyl)-5-methyl-4,6-dioxo-octahydro-pyrrolo[3,4-c]pyrrole-1-carboxylic acid methyl ester
CID 3217311
H-bAla(3R-Bn(2,4,5-triF))-Oic-OEt
CID 118722408
(S)-1-((R)-1-Phenyl-ethylcarbamoyl)-pyrrolidine-2-carboxylic acid 3-(4-fluoro-phenyl)-propyl ester
CID 44280568
Ethyl 5-ethyl-1-(2-fluorophenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 3217421
ethyl (2S,3S)-5-oxo-3-phenylpyrrolidine-2-carboxylate
CID 714911
methyl 2-[phenyl-[[(2S)-pyrrolidine-2-carbonyl]amino]methyl]cyclopropane-1-carboxylate
CID 3247381
Methyl (2S,5R)-5-phenylpyrrolidine-2-carboxylate hydrochloride
CID 66813568
Ethyl 5-ethyl-1-(4-fluorophenyl)-3-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate
CID 3217411

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate (CID 12030808) is ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate is CCOC(=O)[C@H]1C[C@@H](C(=O)N[C@@H](C)c2ccccc2)[C@@H](c2ccccc2)N1.
What is the InChIKey of ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate?
The InChIKey is KHZFVVOCBZPCBZ-YGWPLHOASA-N. The full InChI is InChI=1S/C22H26N2O3/c1-3-27-22(26)19-14-18(20(24-19)17-12-8-5-9-13-17)21(25)23-15(2)16-10-6-4-7-11-16/h4-13,15,18-20,24H,3,14H2,1-2H3,(H,23,25)/t15-,18+,19+,20+/m0/s1.
What are the key properties of ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate?
ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate has a molecular weight of 366.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4R,5S)-5-phenyl-4-[[(1S)-1-phenylethyl]carbamoyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 12030808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).