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

C15H21NO4 — CID 65261292

IUPAC2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid
SMILESCC(C)(NC(=O)COc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H21NO4/c1-14(2,13(18)19)15(3,4)16-12(17)10-20-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyVXESTTNHISIIOP-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.07
Rot. Bonds6

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

2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid (PubChem CID 65261292) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid
PubChem CID65261292
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid
SMILESCC(C)(NC(=O)COc1ccccc1)C(C)(C)C(=O)O
InChIInChI=1S/C15H21NO4/c1-14(2,13(18)19)15(3,4)16-12(17)10-20-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,17)(H,18,19)
InChIKeyVXESTTNHISIIOP-UHFFFAOYSA-N
XLogP2.07
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-(4,4,4-trifluoro-2-methyl-3-oxobutan-2-yl)acetamide
CID 10684824
2,2,3-trimethyl-3-(phenoxycarbonylamino)butanoic acid
CID 65266350
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-phenoxyacetamide
CID 58879695
3-[(2-methoxyacetyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261289
N-(1-amino-2,3-dimethylbutan-2-yl)-2-phenoxyacetamide;hydrochloride
CID 119605895
N-(2-cyano-3-methylbutan-2-yl)-2-phenoxyacetamide
CID 78547582
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
2,2,3-trimethyl-3-(4-phenylbutanoylamino)butanoic acid
CID 65261163
2-phenoxy-N-propan-2-ylacetamide
CID 3614481
chloromethane;2-phenoxyacetic acid
CID 157255542
2-(4-acetylphenoxy)-N-(1,1-diphenylethyl)acetamide
CID 56522786
N-(2,3-dihydroxy-2-methylpropyl)-2-phenoxyacetamide
CID 66169825

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid (CID 65261292) is 2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid is CC(C)(NC(=O)COc1ccccc1)C(C)(C)C(=O)O.
What is the InChIKey of 2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid?
The InChIKey is VXESTTNHISIIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-14(2,13(18)19)15(3,4)16-12(17)10-20-11-8-6-5-7-9-11/h5-9H,10H2,1-4H3,(H,16,17)(H,18,19).
What are the key properties of 2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid?
2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(2-phenoxyacetyl)amino]butanoic acid is sourced from PubChem (CID 65261292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).