2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid

C17H24N2O4 — CID 119253886

IUPAC2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C17H24N2O4/c1-16(2,3)14(21)18-10-13(20)19-12-8-6-11(7-9-12)17(4,5)15(22)23/h6-9H,10H2,1-5H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyOYACAHOLWRDXMD-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.15
Rot. Bonds5

About 2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid

2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 119253886) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID119253886
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid
SMILESCC(C)(C)C(=O)NCC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C17H24N2O4/c1-16(2,3)14(21)18-10-13(20)19-12-8-6-11(7-9-12)17(4,5)15(22)23/h6-9H,10H2,1-5H3,(H,18,21)(H,19,20)(H,22,23)
InChIKeyOYACAHOLWRDXMD-UHFFFAOYSA-N
XLogP2.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-tert-butylanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36860148
2,2-dimethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]propanamide
CID 771812
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
N-[2-(4-methoxyanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 771979
2-[4-[(2-cyclopropylacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554847
2-methyl-2-[4-(pentanoylamino)phenyl]propanoic acid
CID 80554792
2-methyl-2-[4-[3-(methylamino)propanoylamino]phenyl]propanoic acid
CID 80554677
2,2-dimethyl-N-[2-oxo-2-(4-propan-2-yloxyanilino)ethyl]propanamide
CID 112999062
2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554890
2-[4-[(2-methoxy-2-oxoethyl)carbamoylamino]phenyl]-2-methylpropanoic acid
CID 80549262
5-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]-2-hydroxybenzoic acid
CID 43170102
2-[4-[[4-(2-acetamidoethylamino)-4-oxobutanoyl]amino]phenyl]-2-methylpropanoic acid
CID 119254104

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid (CID 119253886) is 2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid is CC(C)(C)C(=O)NCC(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is OYACAHOLWRDXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-16(2,3)14(21)18-10-13(20)19-12-8-6-11(7-9-12)17(4,5)15(22)23/h6-9H,10H2,1-5H3,(H,18,21)(H,19,20)(H,22,23).
What are the key properties of 2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid?
2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(2,2-dimethylpropanoylamino)acetyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 119253886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).