ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate

C24H27ClN2O5 — CID 67095002

IUPACethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate
SMILESCCOC(=O)C(O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C24H27ClN2O5/c1-2-32-24(31)22(29)19(14-16-8-4-3-5-9-16)26-23(30)20-12-13-21(28)27(20)15-17-10-6-7-11-18(17)25/h3-11,19-20,22,29H,2,12-15H2,1H3,(H,26,30)/t19?,20-,22?/m1/s1
InChIKeyVAYWGXMEMCFCGZ-SNCIUUNGSA-N
MW458.94 g/mol
LogP2.48
Rot. Bonds9

About ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate

ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate (PubChem CID 67095002) has the molecular formula C24H27ClN2O5 and a molecular weight of 458.94 g/mol. Its IUPAC name is ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate.

Molecular Properties

Compound Nameethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate
PubChem CID67095002
Molecular FormulaC24H27ClN2O5
Molecular Weight458.94 g/mol
Exact Mass458.16
IUPAC Nameethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate
SMILESCCOC(=O)C(O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1Cl
InChIInChI=1S/C24H27ClN2O5/c1-2-32-24(31)22(29)19(14-16-8-4-3-5-9-16)26-23(30)20-12-13-21(28)27(20)15-17-10-6-7-11-18(17)25/h3-11,19-20,22,29H,2,12-15H2,1H3,(H,26,30)/t19?,20-,22?/m1/s1
InChIKeyVAYWGXMEMCFCGZ-SNCIUUNGSA-N
XLogP2.48
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.94
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate with MolForge

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Related Compounds

ethyl 3-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate
CID 66644659
1-[(2-chlorophenyl)methyl]-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 4062433
1-benzyl-N-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110387587
(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 40516924
(2S)-2-[[(2R)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid
CID 12043818
1-benzyl-N-butan-2-yl-5-oxopyrrolidine-2-carboxamide
CID 110387564
ethyl (2S)-2-[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]propanoate
CID 21349548
(2R)-1-benzyl-5-oxo-N-[(1S)-1-phenylethyl]pyrrolidine-2-carboxamide
CID 7101898
N-[4-(cyclopropylamino)-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-[[2-methoxy-6-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 77224948
4-[(2S)-2-[[(2S)-1-benzyl-5-oxopyrrolidine-2-carbonyl]amino]-3-methoxy-3-oxopropyl]benzoic acid
CID 102022444
1-benzyl-N-[3,4-dioxo-1-phenyl-4-(propan-2-yloxyamino)butan-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 53257551
1-benzyl-N-(2-methyl-3-phenylpropyl)-5-oxopyrrolidine-2-carboxamide
CID 110608606

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate?
The IUPAC name of ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate (CID 67095002) is ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate.
What is the SMILES notation for ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate?
The canonical SMILES for ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate is CCOC(=O)C(O)C(Cc1ccccc1)NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1Cl.
What is the InChIKey of ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate?
The InChIKey is VAYWGXMEMCFCGZ-SNCIUUNGSA-N. The full InChI is InChI=1S/C24H27ClN2O5/c1-2-32-24(31)22(29)19(14-16-8-4-3-5-9-16)26-23(30)20-12-13-21(28)27(20)15-17-10-6-7-11-18(17)25/h3-11,19-20,22,29H,2,12-15H2,1H3,(H,26,30)/t19?,20-,22?/m1/s1.
What are the key properties of ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate?
ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate has a molecular weight of 458.94 g/mol, XLogP of 2.48, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[(2R)-1-[(2-chlorophenyl)methyl]-5-oxopyrrolidine-2-carbonyl]amino]-2-hydroxy-4-phenylbutanoate is sourced from PubChem (CID 67095002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).