4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid

C20H17NO3 — CID 11842158

IUPAC4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid
SMILESO=C(CC(C(=O)O)c1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C20H17NO3/c22-19(13-17(20(23)24)15-7-2-1-3-8-15)21-18-12-6-10-14-9-4-5-11-16(14)18/h1-12,17H,13H2,(H,21,22)(H,23,24)
InChIKeyACDRQFXHZIUFMF-UHFFFAOYSA-N
MW319.36 g/mol
LogP4.04
Rot. Bonds5

About 4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid

4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid (PubChem CID 11842158) has the molecular formula C20H17NO3 and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid.

Molecular Properties

Compound Name4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid
PubChem CID11842158
Molecular FormulaC20H17NO3
Molecular Weight319.36 g/mol
Exact Mass319.12
IUPAC Name4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid
SMILESO=C(CC(C(=O)O)c1ccccc1)Nc1cccc2ccccc12
InChIInChI=1S/C20H17NO3/c22-19(13-17(20(23)24)15-7-2-1-3-8-15)21-18-12-6-10-14-9-4-5-11-16(14)18/h1-12,17H,13H2,(H,21,22)(H,23,24)
InChIKeyACDRQFXHZIUFMF-UHFFFAOYSA-N
XLogP4.04
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid?
The IUPAC name of 4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid (CID 11842158) is 4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid.
What is the SMILES notation for 4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid?
The canonical SMILES for 4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid is O=C(CC(C(=O)O)c1ccccc1)Nc1cccc2ccccc12.
What is the InChIKey of 4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid?
The InChIKey is ACDRQFXHZIUFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO3/c22-19(13-17(20(23)24)15-7-2-1-3-8-15)21-18-12-6-10-14-9-4-5-11-16(14)18/h1-12,17H,13H2,(H,21,22)(H,23,24).
What are the key properties of 4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid?
4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid has a molecular weight of 319.36 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(naphthalen-1-ylamino)-4-oxo-2-phenylbutanoic acid is sourced from PubChem (CID 11842158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).