2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid

C22H26N2O5 — CID 119219296

IUPAC2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid
SMILESO=C(O)COc1ccc(NC(=O)CNC(=O)CCC2CCCC2)c2ccccc12
InChIInChI=1S/C22H26N2O5/c25-20(12-9-15-5-1-2-6-15)23-13-21(26)24-18-10-11-19(29-14-22(27)28)17-8-4-3-7-16(17)18/h3-4,7-8,10-11,15H,1-2,5-6,9,12-14H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyBNAUWQYJWJRAEB-UHFFFAOYSA-N
MW398.46 g/mol
LogP3.33
Rot. Bonds9

About 2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid

2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid (PubChem CID 119219296) has the molecular formula C22H26N2O5 and a molecular weight of 398.46 g/mol. Its IUPAC name is 2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid
PubChem CID119219296
Molecular FormulaC22H26N2O5
Molecular Weight398.46 g/mol
Exact Mass398.18
IUPAC Name2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid
SMILESO=C(O)COc1ccc(NC(=O)CNC(=O)CCC2CCCC2)c2ccccc12
InChIInChI=1S/C22H26N2O5/c25-20(12-9-15-5-1-2-6-15)23-13-21(26)24-18-10-11-19(29-14-22(27)28)17-8-4-3-7-16(17)18/h3-4,7-8,10-11,15H,1-2,5-6,9,12-14H2,(H,23,25)(H,24,26)(H,27,28)
InChIKeyBNAUWQYJWJRAEB-UHFFFAOYSA-N
XLogP3.33
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid?
The IUPAC name of 2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid (CID 119219296) is 2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid.
What is the SMILES notation for 2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid?
The canonical SMILES for 2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid is O=C(O)COc1ccc(NC(=O)CNC(=O)CCC2CCCC2)c2ccccc12.
What is the InChIKey of 2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid?
The InChIKey is BNAUWQYJWJRAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O5/c25-20(12-9-15-5-1-2-6-15)23-13-21(26)24-18-10-11-19(29-14-22(27)28)17-8-4-3-7-16(17)18/h3-4,7-8,10-11,15H,1-2,5-6,9,12-14H2,(H,23,25)(H,24,26)(H,27,28).
What are the key properties of 2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid?
2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid has a molecular weight of 398.46 g/mol, XLogP of 3.33, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-cyclopentylpropanoylamino)acetyl]amino]naphthalen-1-yl]oxyacetic acid is sourced from PubChem (CID 119219296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).