2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid

C17H24N2O4 — CID 3252927

IUPAC2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C17H24N2O4/c1-10(2)13(15(21)22)19-14(20)11-8-6-7-9-12(11)18-16(23)17(3,4)5/h6-10,13H,1-5H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyWAEPDNYXAXFIPD-UHFFFAOYSA-N
MW320.39 g/mol
LogP2.51
Rot. Bonds5

About 2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid

2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid (PubChem CID 3252927) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid
PubChem CID3252927
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid
SMILESCC(C)C(NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)O
InChIInChI=1S/C17H24N2O4/c1-10(2)13(15(21)22)19-14(20)11-8-6-7-9-12(11)18-16(23)17(3,4)5/h6-10,13H,1-5H3,(H,18,23)(H,19,20)(H,21,22)
InChIKeyWAEPDNYXAXFIPD-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 2307063
N-[2-(hydrazinecarbonyl)phenyl]-2,2-dimethylpropanamide
CID 117063512
(2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoic acid
CID 2393671
2-[[2-(1H-indole-2-carbonylamino)benzoyl]amino]-3-methylbutanoic acid
CID 44592485
(2R)-3-methyl-2-[[2-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 30048340
3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid
CID 1494019
2-(2,2-dimethylpropanoylamino)-N-[(1S)-1-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 96534453
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
(2R)-2-[(3-iodo-2-methylbenzoyl)amino]-3-methylbutanoic acid
CID 119369297
(2R)-2-[(2-bromo-3-methylbenzoyl)amino]-3-methylbutanoic acid
CID 107981488
N-[2,3-bis(2,2-dimethylpropanoylamino)phenyl]-2,2-dimethylpropanamide
CID 141287633
2-benzamido-N-[(2R)-1-(4-bromoanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 1340022

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid?
The IUPAC name of 2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid (CID 3252927) is 2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid.
What is the SMILES notation for 2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid?
The canonical SMILES for 2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid is CC(C)C(NC(=O)c1ccccc1NC(=O)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid?
The InChIKey is WAEPDNYXAXFIPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-10(2)13(15(21)22)19-14(20)11-8-6-7-9-12(11)18-16(23)17(3,4)5/h6-10,13H,1-5H3,(H,18,23)(H,19,20)(H,21,22).
What are the key properties of 2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid?
2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid has a molecular weight of 320.39 g/mol, XLogP of 2.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]-3-methylbutanoic acid is sourced from PubChem (CID 3252927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).