3-benzamido-2,2,3-trimethylbutanoic acid

C14H19NO3 — CID 65261450

IUPAC3-benzamido-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H19NO3/c1-13(2,12(17)18)14(3,4)15-11(16)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,16)(H,17,18)
InChIKeyIJPGGYNRSGUCJS-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.31
Rot. Bonds4

About 3-benzamido-2,2,3-trimethylbutanoic acid

3-benzamido-2,2,3-trimethylbutanoic acid (PubChem CID 65261450) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-benzamido-2,2,3-trimethylbutanoic acid.

Molecular Properties

Compound Name3-benzamido-2,2,3-trimethylbutanoic acid
PubChem CID65261450
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name3-benzamido-2,2,3-trimethylbutanoic acid
SMILESCC(C)(NC(=O)c1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C14H19NO3/c1-13(2,12(17)18)14(3,4)15-11(16)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,16)(H,17,18)
InChIKeyIJPGGYNRSGUCJS-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,3-trimethyl-3-[(4-methylbenzoyl)amino]butanoic acid
CID 65261439
3-amino-3-benzamido-2,2-dimethylbutanoic acid
CID 70321321
2,2,3-trimethyl-3-[(4-methylsulfanylbenzoyl)amino]butanoic acid
CID 65261885
2,2,3-trimethyl-3-[(3-nitrobenzoyl)amino]butanoic acid
CID 65261361
3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid
CID 67625422
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
2-benzamido-3,3,3-trifluoro-2-methylpropanoic acid
CID 79795990
3-[(3-bromo-4-methylbenzoyl)amino]-2,2,3-trimethylbutanoic acid
CID 81362189
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
3-[(2-chloropyridine-4-carbonyl)amino]-2,2,3-trimethylbutanoic acid
CID 113263258
2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid
CID 65266350
3-(1,3-dihydro-2-benzofuran-5-carbonylamino)-2,2,3-trimethylbutanoic acid
CID 65261387

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-2,2,3-trimethylbutanoic acid?
The IUPAC name of 3-benzamido-2,2,3-trimethylbutanoic acid (CID 65261450) is 3-benzamido-2,2,3-trimethylbutanoic acid.
What is the SMILES notation for 3-benzamido-2,2,3-trimethylbutanoic acid?
The canonical SMILES for 3-benzamido-2,2,3-trimethylbutanoic acid is CC(C)(NC(=O)c1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 3-benzamido-2,2,3-trimethylbutanoic acid?
The InChIKey is IJPGGYNRSGUCJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-13(2,12(17)18)14(3,4)15-11(16)10-8-6-5-7-9-10/h5-9H,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 3-benzamido-2,2,3-trimethylbutanoic acid?
3-benzamido-2,2,3-trimethylbutanoic acid has a molecular weight of 249.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-2,2,3-trimethylbutanoic acid is sourced from PubChem (CID 65261450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).