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

C15H20N2O4 — CID 64672049

IUPAC3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid
SMILESCN(CC(=O)NC(C)(C)CC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-15(2,9-13(19)20)16-12(18)10-17(3)14(21)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyRFWAOIRUNTUHHB-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.13
Rot. Bonds6

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

3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid (PubChem CID 64672049) 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]-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid
PubChem CID64672049
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid
SMILESCN(CC(=O)NC(C)(C)CC(=O)O)C(=O)c1ccccc1
InChIInChI=1S/C15H20N2O4/c1-15(2,9-13(19)20)16-12(18)10-17(3)14(21)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18)(H,19,20)
InChIKeyRFWAOIRUNTUHHB-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-[benzoyl(methyl)amino]acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427325
N-methyl-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 60636554
ethyl 2-[[2-[benzoyl(methyl)amino]acetyl]amino]acetate
CID 47257628
N-[5-[benzoyl(methyl)amino]-2,4-bis(sulfanylidene)pentyl]-N-methylbenzamide
CID 58459694
2-[(4-benzoylbenzoyl)-methylamino]acetic acid
CID 175926821
tert-butyl 2-[benzoyl(methyl)amino]acetate
CID 78991310
3-[[2-[benzoyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60988422
N-[2-[[1-(hydroxymethyl)cyclopropyl]amino]-2-oxoethyl]-N-methylbenzamide
CID 115877489
3-amino-N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbenzamide;hydrochloride
CID 119691970
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
N-methyl-N-[2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]benzamide
CID 47289765
N-[2-(tert-butylamino)-2-oxoethyl]-3-methoxy-N-methylbenzamide
CID 18118086

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid?
The IUPAC name of 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid (CID 64672049) is 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid is CN(CC(=O)NC(C)(C)CC(=O)O)C(=O)c1ccccc1.
What is the InChIKey of 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid?
The InChIKey is RFWAOIRUNTUHHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-15(2,9-13(19)20)16-12(18)10-17(3)14(21)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3,(H,16,18)(H,19,20).
What are the key properties of 3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid?
3-[[2-[benzoyl(methyl)amino]acetyl]amino]-3-methylbutanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.13, 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]-3-methylbutanoic acid is sourced from PubChem (CID 64672049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).