3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid

C15H20N2O4 — CID 115427325

IUPAC3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCN(CC(=O)NCC(C)(C)C(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-15(2,14(20)21)10-16-12(18)9-17(3)13(19)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyVLMXEEWBPSPLIS-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.99
Rot. Bonds6

About 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid

3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid (PubChem CID 115427325) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid.

Molecular Properties

Compound Name3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
PubChem CID115427325
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
SMILESCN(CC(=O)NCC(C)(C)C(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-15(2,14(20)21)10-16-12(18)9-17(3)13(19)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18)(H,20,21)
InChIKeyVLMXEEWBPSPLIS-UHFFFAOYSA-N
XLogP0.99
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate
CID 47257628
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid
CID 64672049
2,2-dimethyl-3-(4-phenylbutanoylamino)propanoic acid
CID 81370076
N-[2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-2-oxoethyl]-N-methylbenzamide
CID 106164142
1-[[[2-[benzoyl(methyl)amino]acetyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115449986
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
CID 58459694
3-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]amino]-2,2-dimethylpropanoic acid
CID 115428599
tert-butyl 2-[benzoyl(methyl)amino]acetate
CID 78991310
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2-methoxypropanoic acid
CID 106107222
N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 115877489
N-methyl-N-[2-[(3-methyloxetan-3-yl)methylamino]-2-oxoethyl]benzamide
CID 78956835

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid?
The IUPAC name of 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid (CID 115427325) is 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid.
What is the SMILES notation for 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid?
The canonical SMILES for 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid is CN(CC(=O)NCC(C)(C)C(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid?
The InChIKey is VLMXEEWBPSPLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,14(20)21)10-16-12(18)9-17(3)13(19)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18)(H,20,21).
What are the key properties of 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid?
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid has a molecular weight of 292.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid is sourced from PubChem (CID 115427325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).