3-[benzoyl(benzyl)amino]-2-methylpropanoic acid

C18H19NO3 — CID 82324559

IUPAC3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
SMILESCC(CN(Cc1ccccc1)C(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C18H19NO3/c1-14(18(21)22)12-19(13-15-8-4-2-5-9-15)17(20)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,21,22)
InChIKeyIQAXYHYPGJPCDQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.05
Rot. Bonds6

About 3-[benzoyl(benzyl)amino]-2-methylpropanoic acid

3-[benzoyl(benzyl)amino]-2-methylpropanoic acid (PubChem CID 82324559) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is 3-[benzoyl(benzyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
PubChem CID82324559
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name3-[benzoyl(benzyl)amino]-2-methylpropanoic acid
SMILESCC(CN(Cc1ccccc1)C(=O)c1ccccc1)C(=O)O
InChIInChI=1S/C18H19NO3/c1-14(18(21)22)12-19(13-15-8-4-2-5-9-15)17(20)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,21,22)
InChIKeyIQAXYHYPGJPCDQ-UHFFFAOYSA-N
XLogP3.05
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[benzoyl(ethyl)amino]-2-methylpropanoic acid
CID 62827364
(2S)-3-[benzyl(propanoyl)amino]-2-methylpropanoic acid
CID 95537487
3-[benzoyl(furan-2-ylmethyl)amino]-2-methylpropanoic acid
CID 82324557
3-[furan-2-carbonyl-[(4-methylphenyl)methyl]amino]-2-methylpropanoic acid
CID 82324405
(2S)-3-[benzyl-[2-(methoxymethyl)-1,3-thiazole-4-carbonyl]amino]-2-methylpropanoic acid
CID 97324026
N,N-dibenzyl-4-propan-2-ylbenzamide
CID 5101447
3-[benzyl-(6-methyl-1H-indole-2-carbonyl)amino]-2-methylpropanoic acid
CID 122146155
(2S)-2-[[2-[benzoyl(benzyl)amino]acetyl]amino]propanoic acid
CID 157056155
3-[benzoyl(tert-butyl)amino]-2-methylpropanoic acid
CID 82324552
(2S)-3-[benzyl(methyl)amino]-2-methyl-1-phenylpropan-1-one
CID 94514227
3-[(2-benzamidoacetyl)-ethylamino]-2-methylpropanoic acid
CID 62825581
3-[(4-fluorobenzoyl)-(2-hydroxypropyl)amino]-2-methylpropanoic acid
CID 82324892

Frequently Asked Questions

What is the IUPAC name of 3-[benzoyl(benzyl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[benzoyl(benzyl)amino]-2-methylpropanoic acid (CID 82324559) is 3-[benzoyl(benzyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[benzoyl(benzyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[benzoyl(benzyl)amino]-2-methylpropanoic acid is CC(CN(Cc1ccccc1)C(=O)c1ccccc1)C(=O)O.
What is the InChIKey of 3-[benzoyl(benzyl)amino]-2-methylpropanoic acid?
The InChIKey is IQAXYHYPGJPCDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(18(21)22)12-19(13-15-8-4-2-5-9-15)17(20)16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3,(H,21,22).
What are the key properties of 3-[benzoyl(benzyl)amino]-2-methylpropanoic acid?
3-[benzoyl(benzyl)amino]-2-methylpropanoic acid has a molecular weight of 297.35 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzoyl(benzyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 82324559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).