5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid

C20H23NO5 — CID 14545017

IUPAC5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO5/c22-19(21(25)13-5-4-8-20(23)24)14-16-9-11-18(12-10-16)26-15-17-6-2-1-3-7-17/h1-3,6-7,9-12,25H,4-5,8,13-15H2,(H,23,24)
InChIKeyAPCMKKGDXXTLOK-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.28
Rot. Bonds10

About 5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid

5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid (PubChem CID 14545017) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is 5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid
PubChem CID14545017
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid
SMILESO=C(O)CCCCN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C20H23NO5/c22-19(21(25)13-5-4-8-20(23)24)14-16-9-11-18(12-10-16)26-15-17-6-2-1-3-7-17/h1-3,6-7,9-12,25H,4-5,8,13-15H2,(H,23,24)
InChIKeyAPCMKKGDXXTLOK-UHFFFAOYSA-N
XLogP3.28
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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RG 6866
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(E)-3-[5-[2-[methyl(2-phenylethyl)amino]-2-oxoethyl]-2-phenylmethoxyphenyl]prop-2-enoic acid
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Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid?
The IUPAC name of 5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid (CID 14545017) is 5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid?
The canonical SMILES for 5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid is O=C(O)CCCCN(O)C(=O)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid?
The InChIKey is APCMKKGDXXTLOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c22-19(21(25)13-5-4-8-20(23)24)14-16-9-11-18(12-10-16)26-15-17-6-2-1-3-7-17/h1-3,6-7,9-12,25H,4-5,8,13-15H2,(H,23,24).
What are the key properties of 5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid?
5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid has a molecular weight of 357.41 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy-[2-(4-phenylmethoxyphenyl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 14545017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).