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

C16H23NO3 — CID 2770856

IUPAC2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C16H23NO3/c1-10(2)13(15(19)20)17-14(18)11-6-8-12(9-7-11)16(3,4)5/h6-10,13H,1-5H3,(H,17,18)(H,19,20)
InChIKeyRHXSPRBJLXYTDA-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.82
Rot. Bonds4

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

2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoic acid (PubChem CID 2770856) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoic acid
PubChem CID2770856
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O
InChIInChI=1S/C16H23NO3/c1-10(2)13(15(19)20)17-14(18)11-6-8-12(9-7-11)16(3,4)5/h6-10,13H,1-5H3,(H,17,18)(H,19,20)
InChIKeyRHXSPRBJLXYTDA-UHFFFAOYSA-N
XLogP2.82
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.82
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-methylbutanoic acid?
The IUPAC name of 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoic acid (CID 2770856) is 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoic acid is CC(C)C(NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)O.
What is the InChIKey of 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoic acid?
The InChIKey is RHXSPRBJLXYTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-10(2)13(15(19)20)17-14(18)11-6-8-12(9-7-11)16(3,4)5/h6-10,13H,1-5H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoic acid?
2-[(4-tert-butylbenzoyl)amino]-3-methylbutanoic acid has a molecular weight of 277.36 g/mol, XLogP of 2.82, 4 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-methylbutanoic acid is sourced from PubChem (CID 2770856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).