(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid

C20H20N2O5 — CID 119372482

IUPAC(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C20H20N2O5/c23-17(21-19(20(25)26)14-5-2-1-3-6-14)13-27-16-10-8-15(9-11-16)22-12-4-7-18(22)24/h1-3,5-6,8-11,19H,4,7,12-13H2,(H,21,23)(H,25,26)/t19-/m0/s1
InChIKeySWMBTBMVIBINPN-IBGZPJMESA-N
MW368.39 g/mol
LogP2.13
Rot. Bonds7

About (2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid

(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid (PubChem CID 119372482) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is (2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid
PubChem CID119372482
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid
SMILESO=C(COc1ccc(N2CCCC2=O)cc1)N[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C20H20N2O5/c23-17(21-19(20(25)26)14-5-2-1-3-6-14)13-27-16-10-8-15(9-11-16)22-12-4-7-18(22)24/h1-3,5-6,8-11,19H,4,7,12-13H2,(H,21,23)(H,25,26)/t19-/m0/s1
InChIKeySWMBTBMVIBINPN-IBGZPJMESA-N
XLogP2.13
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid with MolForge

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Related Compounds

N-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621
[2-oxo-2-(1-phenylbutylamino)ethyl] 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 55444121
N-(2,2-dimethyl-1-phenylpropyl)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 78864739
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
N-[(1S)-1-(5-methylfuran-2-yl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 94015362
2-[4-(2-oxopyrrolidin-1-yl)phenoxy]-N-(3-phenoxyphenyl)acetamide
CID 55411979
N-(1-aminohexan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 119667044
N-(3-methylbutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685980
(2S)-2-phenyl-2-[[2-(4-propoxyphenoxy)acetyl]amino]acetic acid
CID 119372492
N-(3,3-dimethyl-2-oxobutyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 75393801
N'-(4-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetohydrazide
CID 71901454
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid?
The IUPAC name of (2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid (CID 119372482) is (2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid?
The canonical SMILES for (2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid is O=C(COc1ccc(N2CCCC2=O)cc1)N[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid?
The InChIKey is SWMBTBMVIBINPN-IBGZPJMESA-N. The full InChI is InChI=1S/C20H20N2O5/c23-17(21-19(20(25)26)14-5-2-1-3-6-14)13-27-16-10-8-15(9-11-16)22-12-4-7-18(22)24/h1-3,5-6,8-11,19H,4,7,12-13H2,(H,21,23)(H,25,26)/t19-/m0/s1.
What are the key properties of (2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid?
(2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid has a molecular weight of 368.39 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 119372482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).