2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid

C20H22N2O5 — CID 3737524

IUPAC2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
SMILESCOc1ccc(CC(=O)NCC(=O)NC(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C20H22N2O5/c1-27-16-9-7-15(8-10-16)12-18(23)21-13-19(24)22-17(20(25)26)11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyYCMRSWSTJYWKCP-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.17
Rot. Bonds9

About 2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid

2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid (PubChem CID 3737524) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is 2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
PubChem CID3737524
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid
SMILESCOc1ccc(CC(=O)NCC(=O)NC(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C20H22N2O5/c1-27-16-9-7-15(8-10-16)12-18(23)21-13-19(24)22-17(20(25)26)11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,23)(H,22,24)(H,25,26)
InChIKeyYCMRSWSTJYWKCP-UHFFFAOYSA-N
XLogP1.17
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid (CID 3737524) is 2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid is COc1ccc(CC(=O)NCC(=O)NC(Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid?
The InChIKey is YCMRSWSTJYWKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-27-16-9-7-15(8-10-16)12-18(23)21-13-19(24)22-17(20(25)26)11-14-5-3-2-4-6-14/h2-10,17H,11-13H2,1H3,(H,21,23)(H,22,24)(H,25,26).
What are the key properties of 2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid?
2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid has a molecular weight of 370.41 g/mol, XLogP of 1.17, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4-methoxyphenyl)acetyl]amino]acetyl]amino]-3-phenylpropanoic acid is sourced from PubChem (CID 3737524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).