2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid

C15H21NO3 — CID 65261439

IUPAC2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid
SMILESCc1ccc(C(=O)NC(C)(C)C(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-10-6-8-11(9-7-10)12(17)16-15(4,5)14(2,3)13(18)19/h6-9H,1-5H3,(H,16,17)(H,18,19)
InChIKeyAYCCETYVWAABQR-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.61
Rot. Bonds4

About 2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid

2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid (PubChem CID 65261439) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid
PubChem CID65261439
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid
SMILESCc1ccc(C(=O)NC(C)(C)C(C)(C)C(=O)O)cc1
InChIInChI=1S/C15H21NO3/c1-10-6-8-11(9-7-10)12(17)16-15(4,5)14(2,3)13(18)19/h6-9H,1-5H3,(H,16,17)(H,18,19)
InChIKeyAYCCETYVWAABQR-UHFFFAOYSA-N
XLogP2.61
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzamido-2,2,3-trimethylbutanoic acid
CID 65261450
2,2,3-trimethyl-3-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 65261885
3-[(3-bromo-4-methylbenzoyl)amino]-2,2,3-trimethylbutanoic acid
CID 81362189
3,3,3-trifluoro-2-methyl-2-[(4-methylbenzoyl)amino]propanoic acid
CID 79795388
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2,2,3-trimethylbutanoic acid
CID 65261387
3-[(2-chloropyridine-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 113263258
N-(3-acetyl-2-methyl-4-oxopentan-2-yl)-4-methylbenzamide
CID 17333801
(4-methylbenzoyl)carbamic acid
CID 89120559
3-[[2-(2,5-dimethylphenyl)acetyl]amino]-2,2,3-trimethylbutanoic acid
CID 65261589
N-(1-amino-2-phenylpropan-2-yl)-4-methylbenzamide
CID 105060436
3-amino-3-benzamido-2,2-dimethylbutanoic acid
CID 70321321
CID 158355468
CID 158355468

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid (CID 65261439) is 2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid is Cc1ccc(C(=O)NC(C)(C)C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid?
The InChIKey is AYCCETYVWAABQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-6-8-11(9-7-10)12(17)16-15(4,5)14(2,3)13(18)19/h6-9H,1-5H3,(H,16,17)(H,18,19).
What are the key properties of 2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid?
2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid is sourced from PubChem (CID 65261439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).