2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid

C20H23NO3 — CID 2913589

IUPAC2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid
SMILESCC(C)(C)c1ccc(C(=O)NC(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)16-11-9-15(10-12-16)18(22)21-17(19(23)24)13-14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeySTEXBIQSNXOZRU-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.41
Rot. Bonds5

About 2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid

2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid (PubChem CID 2913589) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid
PubChem CID2913589
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Name2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid
SMILESCC(C)(C)c1ccc(C(=O)NC(Cc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C20H23NO3/c1-20(2,3)16-11-9-15(10-12-16)18(22)21-17(19(23)24)13-14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3,(H,21,22)(H,23,24)
InChIKeySTEXBIQSNXOZRU-UHFFFAOYSA-N
XLogP3.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid?
The IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid (CID 2913589) is 2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid is CC(C)(C)c1ccc(C(=O)NC(Cc2ccccc2)C(=O)O)cc1.
What is the InChIKey of 2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid?
The InChIKey is STEXBIQSNXOZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO3/c1-20(2,3)16-11-9-15(10-12-16)18(22)21-17(19(23)24)13-14-7-5-4-6-8-14/h4-12,17H,13H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of 2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid?
2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid has a molecular weight of 325.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butylbenzoyl)amino]-3-phenylpropanoic acid is sourced from PubChem (CID 2913589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).