2-[(4-tert-butylbenzoyl)amino]propanoic acid

C14H19NO3 — CID 2929886

IUPAC2-[(4-tert-butylbenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C14H19NO3/c1-9(13(17)18)15-12(16)10-5-7-11(8-6-10)14(2,3)4/h5-9H,1-4H3,(H,15,16)(H,17,18)
InChIKeyKGSUAYOKUTTZHA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.19
Rot. Bonds3

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

2-[(4-tert-butylbenzoyl)amino]propanoic acid (PubChem CID 2929886) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(4-tert-butylbenzoyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butylbenzoyl)amino]propanoic acid
PubChem CID2929886
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(4-tert-butylbenzoyl)amino]propanoic acid
SMILESCC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C14H19NO3/c1-9(13(17)18)15-12(16)10-5-7-11(8-6-10)14(2,3)4/h5-9H,1-4H3,(H,15,16)(H,17,18)
InChIKeyKGSUAYOKUTTZHA-UHFFFAOYSA-N
XLogP2.19
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.19
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]propanoic acid?
The IUPAC name of 2-[(4-tert-butylbenzoyl)amino]propanoic acid (CID 2929886) is 2-[(4-tert-butylbenzoyl)amino]propanoic acid.
What is the SMILES notation for 2-[(4-tert-butylbenzoyl)amino]propanoic acid?
The canonical SMILES for 2-[(4-tert-butylbenzoyl)amino]propanoic acid is CC(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[(4-tert-butylbenzoyl)amino]propanoic acid?
The InChIKey is KGSUAYOKUTTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(13(17)18)15-12(16)10-5-7-11(8-6-10)14(2,3)4/h5-9H,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-tert-butylbenzoyl)amino]propanoic acid?
2-[(4-tert-butylbenzoyl)amino]propanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.19, 3 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]propanoic acid is sourced from PubChem (CID 2929886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).