4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid

C14H20N2O4 — CID 106312475

IUPAC4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
SMILESCc1ccc(C(N)C(=O)NCC(C)(O)CC(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-9-3-5-10(6-4-9)12(15)13(19)16-8-14(2,20)7-11(17)18/h3-6,12,20H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVLCCEQVUBGPQCL-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.34
Rot. Bonds6

About 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid

4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid (PubChem CID 106312475) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
PubChem CID106312475
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid
SMILESCc1ccc(C(N)C(=O)NCC(C)(O)CC(=O)O)cc1
InChIInChI=1S/C14H20N2O4/c1-9-3-5-10(6-4-9)12(15)13(19)16-8-14(2,20)7-11(17)18/h3-6,12,20H,7-8,15H2,1-2H3,(H,16,19)(H,17,18)
InChIKeyVLCCEQVUBGPQCL-UHFFFAOYSA-N
XLogP0.34
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid with MolForge

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Related Compounds

2-amino-2-(4-methylphenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 114150555
3-[[2-amino-2-(4-methylphenyl)acetyl]amino]-N,2,2-trimethylpropanamide
CID 106313002
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669329
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669291
3-hydroxy-3-methyl-4-[[2-(4-methylphenyl)acetyl]amino]butanoic acid
CID 66000943
2-amino-N-(2-ethyl-2-methylsulfanylbutyl)-2-(4-methylphenyl)acetamide
CID 106151577
ethyl 2-[[2-amino-2-(4-methylphenyl)acetyl]amino]acetate;hydrochloride
CID 120667027
2-amino-N-(2-aminoethyl)-2-(4-methylphenyl)acetamide
CID 106151018
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-phenylacetamide
CID 106148425
2-amino-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-phenylacetamide
CID 106247688
2-amino-N-(2-amino-2-oxoethyl)-2-(4-methylphenyl)acetamide
CID 106151324
2-amino-N-(3-anilinopropyl)-2-(4-methylphenyl)acetamide;dihydrochloride
CID 120669990

Frequently Asked Questions

What is the IUPAC name of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid?
The IUPAC name of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid (CID 106312475) is 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid?
The canonical SMILES for 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid is Cc1ccc(C(N)C(=O)NCC(C)(O)CC(=O)O)cc1.
What is the InChIKey of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid?
The InChIKey is VLCCEQVUBGPQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-3-5-10(6-4-9)12(15)13(19)16-8-14(2,20)7-11(17)18/h3-6,12,20H,7-8,15H2,1-2H3,(H,16,19)(H,17,18).
What are the key properties of 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid?
4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid has a molecular weight of 280.32 g/mol, XLogP of 0.34, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-amino-2-(4-methylphenyl)acetyl]amino]-3-hydroxy-3-methylbutanoic acid is sourced from PubChem (CID 106312475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).