(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid

C21H22N2O5 — CID 119367728

IUPAC(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
SMILESCCOc1ccccc1N1CC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1=O
InChIInChI=1S/C21H22N2O5/c1-2-28-17-11-7-6-10-16(17)23-13-15(12-18(23)24)20(25)22-19(21(26)27)14-8-4-3-5-9-14/h3-11,15,19H,2,12-13H2,1H3,(H,22,25)(H,26,27)/t15?,19-/m1/s1
InChIKeyZFVMPOVRNHAISU-XCWJXAQQSA-N
MW382.42 g/mol
LogP2.38
Rot. Bonds7

About (2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid

(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid (PubChem CID 119367728) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is (2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
PubChem CID119367728
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid
SMILESCCOc1ccccc1N1CC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1=O
InChIInChI=1S/C21H22N2O5/c1-2-28-17-11-7-6-10-16(17)23-13-15(12-18(23)24)20(25)22-19(21(26)27)14-8-4-3-5-9-14/h3-11,15,19H,2,12-13H2,1H3,(H,22,25)(H,26,27)/t15?,19-/m1/s1
InChIKeyZFVMPOVRNHAISU-XCWJXAQQSA-N
XLogP2.38
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119212157
(3S)-1-(2-ethoxyphenyl)-N',N'-dimethyl-5-oxopyrrolidine-3-carbohydrazide
CID 9164078
1-(2-ethoxyphenyl)-N-[4-methyl-1-(methylamino)-1-oxopentan-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 55751598
1-(2-ethoxyphenyl)-N-[1-(4-methylsulfonylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 24552104
1-(2-ethoxyphenyl)-N-(2-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 18886193
1-(2-ethoxyphenyl)-5-oxo-N-(2-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43008551
1-(2-ethoxyphenyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-5-oxopyrrolidine-3-carboxamide
CID 55389602
N-[1-(1-benzylpyrrolidin-3-yl)ethyl]-1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75448758
1-(2-ethoxyphenyl)-5-oxo-N-piperidin-3-ylpyrrolidine-3-carboxamide;hydrochloride
CID 119426905
1-(2-ethoxyphenyl)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide;hydrochloride
CID 120943263
1-(2-ethoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 24980846
(3S)-1-(2-methoxyphenyl)-5-oxo-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 9004996

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of (2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid (CID 119367728) is (2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid is CCOc1ccccc1N1CC(C(=O)N[C@@H](C(=O)O)c2ccccc2)CC1=O.
What is the InChIKey of (2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is ZFVMPOVRNHAISU-XCWJXAQQSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-2-28-17-11-7-6-10-16(17)23-13-15(12-18(23)24)20(25)22-19(21(26)27)14-8-4-3-5-9-14/h3-11,15,19H,2,12-13H2,1H3,(H,22,25)(H,26,27)/t15?,19-/m1/s1.
What are the key properties of (2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid?
(2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 382.42 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119367728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).